OCTHILINONE (OIT)
OCTHILINONE (OIT)
CAS No. : 26530-20-1
EC No. : 247-761-7
Synonyms:
Octhilinone; 26530-20-1; 2-n-Octyl-4-isothiazolin-3-one; 2-Octyl-4-isothiazolin-3-one; 2-octylisothiazol-3(2H)-one; 2-Octyl-3-isothiazolone; Pancil; 2-Octyl-2H-isothiazol-3-one; 3(2H)-Isothiazolone, 2-octyl-; 2-Octyl-3(2H)-isothiazolone; Kathon 893; Skane 8; Skane M-8; Kathon 893F; Micro-chek skane; Kathon LM; Microbicide M-8; Micro-chek 11; Micro-chek 11D; Kathon SP 70; Kathon LP preservative; Kathon 4200; Pancil-T; Skane M8; 2-octyl-1,2-thiazol-3-one; Caswell No. 613C; 4-Isothiazolin-3-one, 2-octyl-; UNII-4LFS24GD0V; Vinylzene IT 3000DIDP; Octyl-3(2H)-isothiazolone; RH 893; Octhilinone [ANSI:BSI:ISO]; CCRIS 6082; EINECS 247-761-7; 2-Octyl-3-isothioazolone; 2-Octyl-3-isothiazolinone; Octyl-4-isothiazol-3-one; EPA Pesticide Chemical Code 099901; 2-n-Octyl-3-isothiazolone; BRN 1211137; 4LFS24GD0V; MLS002415697; CHEBI:81936; 2-octyl-1,2-thiazol-3(2H)-one; SMR001370885; DSSTox_CID_5805; DSSTox_RID_77928; DSSTox_GSID_25805; Kathon; CAS-26530-20-1; C11H19NOS; Pancil T; Skane M 8; ACMC-1CDE4; Vinyzene IT 3000DIDP; SCHEMBL15648; cid_33528; KSC163A4D; SCHEMBL396433; CHEMBL1562104; DTXSID1025805; BDBM66023; HSDB 6713; KS-00000ZYZ; 2-Octyl-4-Isothiazolin-3-Ketone; ZINC2012904; Tox21_201459; Tox21_300566; ANW-26014; RH-893; AKOS015897428; LS-1106; NCGC00091875-01; NCGC00091875-02; NCGC00091875-03; NCGC00091875-04; NCGC00091875-05; NCGC00254466-01; NCGC00259010-01; AS-11894; Octhilinone 10 microg/mL in Acetonitrile; DB-028182; FT-0613248; NS00000270; O0343; O0378; C18752; K-6861; 530O201; Q2013949; W-107168; 2-Octyl-4-isothiazolin-3-one, PESTANAL(R), analytical standard; OIT
EN
Octhilinone IUPAC Name 2-octyl-1,2-thiazol-3-one
Octhilinone InChI 1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
Octhilinone InChI Key JPMIIZHYYWMHDT-UHFFFAOYSA-N
Octhilinone Canonical SMILES CCCCCCCCN1C(=O)C=CS1
Octhilinone Molecular Formula C11H19NOS
Octhilinone CAS 26530-20-1
Octhilinone Related CAS 68480-30-8 (hydrochloride)
Octhilinone Deprecated CAS 122667-23-6, 12673-72-2
Octhilinone European Community (EC) Number 247-761-7
Octhilinone UN Number 2922
Octhilinone UNII 4LFS24GD0V
Octhilinone DSSTox Substance ID DTXSID1025805
Octhilinone Physical Description 2-octyl-3-isothiazolone is a clear dark amber liquid. Used as a fungicide.
Octhilinone Color/Form Liquid
Octhilinone Odor Very weak, sharp smell
Octhilinone Boiling Point 248 °F at 0.01 mm Hg (NTP, 1992)
Octhilinone Melting Point 15 °C at 101.325 kPa
Octhilinone Flash Point greater than 200 °F (NTP, 1992)
Octhilinone Solubility less than 1 mg/mL at 66° F (NTP, 1992)
Octhilinone Density 1.04 at 60.3 °F
Octhilinone Vapor Pressure 2.98 mm Hg at 77 °F
Octhilinone LogP 2.45 (LogP)
Octhilinone Stability/Shelf Life Stable under recommended storage conditions
Octhilinone Decomposition When heated to decomposition it emits very toxic fumes of /sulfur oxides and nitrogen oxides/.
Octhilinone Viscosity 48.04 sq mm.s at 20 °C; 17.94 sq mm.s at 30 °C
Octhilinone pH pH = 3.4
Octhilinone Other Experimental Properties BP: 120 °C at 0.01 mm Hg
Octhilinone Molecular Weight 213.34 g/mol
Octhilinone XLogP3-AA 3.5
Octhilinone Hydrogen Bond Donor Count 0
Octhilinone Hydrogen Bond Acceptor Count 2
Octhilinone Rotatable Bond Count 7
Octhilinone Exact Mass 213.118735 g/mol
Octhilinone Monoisotopic Mass 213.118735 g/mol
Octhilinone Topological Polar Surface Area 45.6 Ų
Octhilinone Heavy Atom Count 14
Octhilinone Formal Charge 0
Octhilinone Complexity 204
Octhilinone Isotope Atom Count 0
Octhilinone Defined Atom Stereocenter Count 0
Octhilinone Undefined Atom Stereocenter Count 0
Octhilinone Defined Bond Stereocenter Count 0
Octhilinone Undefined Bond Stereocenter Count 0
Octhilinone Covalently-Bonded Unit Count 1
Octhilinone Compound Is Canonicalized Yes
Octhilinone is a member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union. It has a role as an environmental contaminant, a xenobiotic, an antifungal agrochemical and an antibacterial agent.Octhilinone is a light golden yellow clear liquid. It has a very faint but sharp odor. It is moderately soluble in water. USE: Octhilinone is used as a bactericide and fungicide in agriculture, cooling tower water, paints, and leather. Its use as a materials preservative include fabrics and textiles, sealants, adhesives and rubber and plastics. EXPOSURE: Workers who use octhilinone may breathe in mists or have direct skin contact. The general population may have direct skin contact when using paint products containing octhilinone. If octhilinone is released to the environment, it will be broken down in air. Octhilinone released to air will also be in or on particles that eventually fall to the ground. It is not expected to be broken down by sunlight. It will not move into air from moist soil and water surfaces. It is expected to move slowly through soil. It will be broken down by microorganisms under certain conditions, and is not expected to build up in fish. RISK: Severe allergic reactions have been reported in some workers handling octhilinone or products containing this chemical, characterized by severe itching and rash over arms, legs and upper back. Allergic skin reactions have also been reported in individuals following non-occupational contact with products containing octhilinone. Additional data on the potential for octhilinone to cause toxic effects in humans were not available. Octhilinone causes moderate to severe irritation to the eyes and skin of laboratory animals, and can cause severe skin damage with direct contact. It is considered moderately toxic to animals following exposure by any route. Data on the potential for octhilinone to cause infertility in laboratory animals were not available. Increased abortion was observed in laboratory animals exposed to octhilinone at moderate-to-high oral doses that cause mothers to be sick (decreased weight gain, decreased appetite). Some mothers died. No birth defects were observed in offspring. Data on the potential for octhilinone to cause cancer in laboratory animals were not available. The potential for octhilinone to cause cancer in humans has not been assessed by the U.S. EPA IRIS program, the International Agency for Research on Cancer, or the U.S. National Toxicology Program 14th Report on Carcinogens. (SRC)For octhilinone (USEPA/OPP Pesticide Code: 099901) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses.As a materials preservative, OIT is used in industrial premises. There are no residential use sites for octhilinone as an active ingredient. However, octhilinone is used as a materials preservative in various end-use products, some of which can be handled and used in residential settings.Octhilinone can be prepared by reaction of dithio-N-n-dioctylpropionamide and sulfuryl chloride.The National Pesticide Information Retrieval System (NPIRS) identifies 15 companies with active labels for products containing the chemical octhilinone. To view the complete list of companies, product names and percent octhilinone in formulated products click the following url and enter the CAS Registry number in the Active Ingredient field.Octhilinone is found on List B. Case No: 2475; Pesticide type: fungicide; Case Status: OPP is reviewing data from the pesticide’s producers regarding its human health and/or environmental effects, or OPP is determining the pesticide’s eligibility for reregistration and developing the RED document.; Active ingredient (AI): 2-n-octyl-4-isothiazolin-3-one; Data Call-in (DCI) Date(s): 06/05/91, 10/13/95; AI Status: The producers of the pesticide have made commitments to conduct the studies and pay the fees required for reregistration, and are meeting those commitments in a timely manner.Octhilinone is used as fungicide, and biocide in cooling-tower water, paints, cutting oils, cosmetics and shampoo, as well as for leather preservation. HUMAN STUDIES: Severe allergic contact dermatitis from a paint mildewcide, octhilinone, developed in a worker formulating latex paints within a paint manufacturing company. An outbreak of severe itching, erythematous and edematous dermatitis over the extremities and upper back developed in 8 of 17 workers in the raw-materials department of a paint manufacturing factory. ANIMAL STUDIES: Guinea pig maximization testing demonstrated this to be a moderate sensitizer. No teratogenic response reported in developmental studies in rats. Octhilinone induced chromosomal aberrations in Chinese hamster ovary cells with and without metabolic activation.Octhilinone was tested to > 50% toxicity. No individual cell data. No significant increase in net nuclear grains/cell reported.The screening revealed that 2-octyl-4-isothiazolin-3-one (octhilinone) inhibited purified rat recombinant MGL (IC(50)= 88 +/- 12 nM) through a partially reversible mechanism. Initial structure-activity relationship studies showed that substitution of the n-octyl group of octhilinone with a more lipophilic oleoyl group increased inhibitor potency (IC(50)= 43 +/- 8 nM), while substitution with a methyl group produced the opposite effect (IC(50)= 239 +/- 68 nM). The inhibitory potency of octhilinone was selectively decreased by mutating cysteine 208 in MGL to glycine (IC(50); wild-type, 151 +/- 17 nM; C208G, 722 +/- 74 nM), but not by mutation of other cysteine residues (C32, C55, C201, C208 and C242). The results indicated that cysteine 208 plays an important role in MGL function and identified a novel class of isothiazolinone-based MGL inhibitors with nanomolar potency in vitro.Ochilinone’s production may result in its release to the environment through various waste streams; its use as a plant wound protectant, fungicide/bactericide and cooling-tower biocide will result in its direct release to the environment. Octhilinone’s production and use as a biocide in paints, cutting oils, and for leather preservation may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 3.68X10-5 mm Hg at 25 °C indicates octhilinone will exist in both the vapor and particulate phases in the atmosphere. Vapor-phase octhilinone will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 10 hrs. Particulate-phase octhilinone will be removed from the atmosphere by wet and dry deposition. Octhilinone absorbs UV light at wavelength 280 nm and, therefore, is not expected to be susceptible to direct photolysis by sunlight since sunlight consists of wavelengths above 290 nm. If released to soil, octhilinone is expected to have low mobility based upon an estimated Koc of 840. Volatilization from moist soil surfaces is not expected to be an important fate process based upon an estimated Henry’s Law constant of 2.1X10-8 atm-cu m/mole. Octhilinone is not expected to volatilize from dry soil surfaces based upon its vapor pressure. Octhilinone was confirmed to be biodegradable using activated sludge in the Japanese MITI test suggesting that biodegradation is an important environmental fate process in soil. If released into water, octhilinone is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Octhilinone was 40-100% biodegraded in 4 weeks using the river die-away test indictating that biodegradation may be an important environmental fate process in water. Volatilization from water surfaces is not expected to be an important fate process based upon this compound’s estimated Henry’s Law constant. An estimated BCF of 19 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions (pH 5 to 9). Occupational exposure to octhilinone may occur through inhalation and dermal contact with this compound at workplaces where octhilinone is produced or used. Use data indicate that the general population may be exposed to octhilinone via dermal contact with consumer products containing octhilinone.Ochilinone’s production may result in its release to the environment through various waste streams; its use as a plant wound protectant, fungicide/bactericide(1) and cooling-tower biocide(2,3) will result in its direct release to the environment(SRC). Octhilinone’s production and use as a biocide in paints, cutting oils and for leather preservation(1) may result in its release to the environment through various waste streams(SRC).Based on a classification scheme(1), an estimated Koc value of 840(SRC), determined from a structure estimation method(2), indicates that octhilinone is expected to have very low mobility in soil(SRC). Volatilization of octhilinone from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry’s Law constant of 2.1X10-8 atm-cu m/mole(SRC), based upon its vapor pressure, 3.68X10-5 mm Hg(3), and water solubility, 500 mg/L(3). Octhilinone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Octhilinone was confirmed to be biodegradable using activated sludge in the Japanese MITI test(4) suggesting that biodegradation is an important environmental fate process in soil.According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), octhilinone, which has a vapor pressure of 2.68X10-5 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase octhilinone is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 10 hrs(SRC), calculated from its rate constant of 4.0X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase octhilinone may be removed from the air by wet and dry deposition(SRC). Octhilinone absorbs UV light at wavelength 280 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight since sunlight consists of wavelengths above 290 nm.Octhilinone was confirmed to be biodegradable according to the standard test of the Japanese Ministry of Industry and Trade (MITI) that employs an inoculum obtained from sludge(1). Octhilinone, present at 1 mg/L, was 40-100% biodegraded in 4 weeks using the river die-away test(2). Biodegradation half-lives of 30 days, 360 hrs and 3,240 hours at 20 °C have been reported in soil, water and sediment, respectively(3).The rate constant for the vapor-phase reaction of octhilinone with photochemically-produced hydroxyl radicals has been estimated as 4.0X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 10 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A half-life in air of 3.3 hours has also been reported(2). The rate constant for the vapor-phase reaction of octhilinone with ozone has been estimated as 1.8X10-18 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(1). This corresponds to an atmospheric half-life of about 7 days at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(3). Octhilinone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(4). Octhilinone absorbs UV light at wavelength 280 nm(5) and, therefore, is not expected to be susceptible to direct photolysis by sunlight since sunlight consists of wavelengths above 290 nm(SRC).Using a structure estimation method based on molecular connectivity indices(1), the Koc of octhilinone can be estimated to be 850(SRC). According to a classification scheme(2), this estimated Koc value suggests that octhilinone is expected to have low mobility in soil(SRC). A Koc of 179.8 at 20 °C has also been reported(3). Octhilinone, at a concentration of 10 ug/L, was <90% absorbed over 6 hours using a German municipal waste water treatment plant activated sludge in a bench-scale test(4).
TR
Octhilinone IUPAC Ad 2-octyl-1,2-thiazol-3-one
Octhilinone InChI 1S / C11H19NOS / c1-2-3-4-5-6-7-9-12-11 (13) 8-10-14-12 / h8,10H, 2-7,9H2,1H3
Octhilinone InChI Anahtar JPMIIZHYYWMHDT-UHFFFAOYSA-N
Octhilinone Kanonik SMILES CCCCCCCCN1C (= O) C = CS1
Octhilinone Moleküler Formülü C11H19NOS
Octhilinone CAS 26530-20-1
Octhilinone le lgili CAS 68480-30-8 (hidroklorür)
Octhilinone Kullanmdan Kaldrld CAS 122667-23-6, 12673-72-2
Octhilinone Avrupa Topluluu (EC) Numaras 247-761-7
Octhilinone UN Numaras 2922
Octhilinone UNII 4LFS24GD0V
Octhilinone DSSTox Madde Kimlii DTXSID1025805
Octhilinone Fiziksel Tanmlama 2-octyl-3-isothiazolone, berrak koyu kehribar renkli bir svdr. Mantar ilac olarak kullanlr.
Octhilinone Renk / Form Sv
Octhilinone Kokusu Çok zayf, keskin koku
Octhilinone Kaynama Noktas 248 ° F, 0.01 mm Hg (NTP, 1992)
Octhilinone Erime Noktas 101.325 kPa’da 15 ° C
Octhilinone Parlama Noktas 200 ° F’den büyük (NTP, 1992)
Octhilinone Çözünürlüü 66 ° F’de 1 mg / mL’den az (NTP, 1992)
Octhilinone Younluu 1.04, 60.3 ° F
Octhilinone Buhar Basnc 77 ° F’de 2,98 mm Hg
Octhilinone LogP 2.45 (LogP)
Octhilinone Stabilitesi / Raf Ömrü Önerilen saklama koullarnda kararl
Octhilinone Ayrmas Ayrmaya kadar stldnda çok toksik / sülfür oksitler ve nitrojen oksitler / dumanlar yayar.
Octhilinone Viskozitesi 20 ° C’de 48.04 sq mm.s; 30 ° C’de 17,94 sq mm.s
Octhilinone pH pH = 3.4
Octhilinone Dier Deneysel Özellikler BP: 0.01 mm Hg’de 120 ° C
Octhilinone Moleküler Arlk 213,34 g / mol
Octhilinone XLogP3-AA 3.5
Octhilinone Hidrojen Ba Donör Says 0
Octhilinone Hidrojen Ba Alc Says 2
Octhilinone Dönebilen Ba Says 7
Octhilinone Tam Kütle 213.118735 g / mol
Octhilinone Monoisotopik Kütle 213.118735 g / mol
Octhilinone Topolojik Polar Yüzey Alan 45.6 Ų
Octhilinone Ar Atom Says 14
Octhilinone Resmi Yükü 0
Octhilinone Karmakl 204
Octhilinone zotop Atom Says 0
Octhilinone Tanml Atom Stereocenter Says 0
Octhilinone Tanmsz Atom Stereo Merkez Saym 0
Octhilinone Tanml Bond Stereocenter Says 0
Octhilinone Tanmsz Ba Stereocenter Says 0
Octhilinone Kovalent Bal Birim Says 1
Octhilinone Bileii Kanonikalletirilmitir Evet
Octhilinone, bir oktil grubu ile nitrojen (pozisyon 2) üzerinde ikame edilmi 1,2-tiyazol-3-on olan 1,2-tiyazol snfnn bir üyesidir. Mantar ilac ve antibakteriyel bir ajan olup meyve aaçlarnda pamukçuk ve dier mantar ve bakteri hastalklarnn tedavisinde kullanlr. Artk Avrupa Birlii içinde kullanm için onaylanmamaktadr. Çevresel kirletici, ksenobiyotik, antifungal agrokimyasal ve antibakteriyel ajan olarak rol oynar.Octhilinone açk altn sars berrak bir svdr. Çok hafif ama keskin bir kokusu vardr. Suda orta derecede çözünür. KULLANIM: Octhilinone, tarmda, soutma kulesi suyunda, boyalarda ve deride bakterisit ve fungisit olarak kullanlr. Bir malzeme koruyucu olarak kullanm arasnda kumalar ve tekstiller, szdrmazlk malzemeleri, yaptrclar ve kauçuk ve plastikler bulunur. MARUZ KALMA: Octhilinone kullanan içiler sislerde nefes alabilir veya dorudan ciltle temas edebilir. Octhilinone içeren boya ürünleri kullanldnda genel popülasyon dorudan cilt temasna sahip olabilir. Octhilinone çevreye salnrsa havada parçalanacaktr. Havaya salnan oktilinon, sonunda yere düen parçacklarn içinde veya üzerinde olacaktr. Güne ndan parçalanmas beklenmez. Nemli toprak ve su yüzeylerinden havaya karmaz. Toprakta yava hareket etmesi bekleniyor. Belli koullar altnda mikroorganizmalar tarafndan parçalanr ve balklarda birikmesi beklenmez. RSK: Octhilinone veya bu kimyasal içeren ürünlerle uraan baz içilerde kollarda, bacaklarda ve srtn üst ksmnda iddetli kant ve kzarklk ile karakterize ciddi alerjik reaksiyonlar bildirilmitir. Octhilinone içeren ürünlerle mesleki olmayan temas takiben kiilerde alerjik deri reaksiyonlar bildirilmitir. Octhilinoneun insanlarda toksik etkilere neden olma potansiyeline ilikin ek veriler mevcut deildi. Octhilinone, laboratuvar hayvanlarnn gözlerinde ve cildinde orta ila iddetli tahrie neden olur ve dorudan temas halinde ciddi cilt hasarna neden olabilir. Herhangi bir yoldan maruz kaldktan sonra hayvanlar için orta derecede toksik kabul edilir. Octhilinoneun laboratuvar hayvanlarnda ksrla neden olma potansiyeline ilikin veriler mevcut deildi. Orta ila yüksek oral dozlarda Octhilinonea maruz kalan laboratuvar hayvanlarnda annelerin hastalanmasna (kilo almnda azalma, itah azalmas) neden olan artm düük gözlenmitir. Baz anneler öldü. Yavrularda herhangi bir doum kusuru gözlenmedi. Octhilinonun laboratuar hayvanlarnda kansere neden olma potansiyeline ilikin veriler mevcut deildi. Octhilinoneun insanlarda kansere neden olma potansiyeli ABD EPA IRIS program, Uluslararas Kanser Aratrma Ajans veya ABD Ulusal Toksikoloji Program 14. Karsinojen Raporunda deerlendirilmemitir. (SRC) Octhilinone için (USEPA / OPP Pestisit Kodu: 099901) etiketli AKTF ürünlerBen eleirim. / SRP: ABD’de kullanm için tescillidir ancak onaylanm pestisit kullanmlar periyodik olarak deiebilir ve bu nedenle u anda onaylanm kullanmlar için federal, eyalet ve yerel makamlara danlmaldr. Malzeme koruyucu olarak OIT endüstriyel tesislerde kullanlr. Aktif bileen olarak octhilinone için konut kullanm alan yoktur. Bununla birlikte, octhilinone, bir ksm konut ortamlarnda kullanlabilen ve kullanlabilen çeitli son kullanm ürünlerinde bir malzeme koruyucu olarak kullanlr.Octhilinone, ditiyo-Nn-dioktilpropionamid ve sülfüril klorürün reaksiyonu ile hazrlanabilir Ulusal Pestisit Bilgi Alma Sistemi (NPIRS), kimyasal Octhilinone içeren ürünler için aktif etiketleri olan 15 irketi tanmlar. Formüle edilmi ürünlerde firmalarn, ürün isimlerinin ve yüzde Octhilinoneun tam listesini görüntülemek için aadaki url’ye tklayn ve Aktif çerik alanna CAS Kayt numarasn girin. Octhilinonee Liste B’de bulunur. Vaka No: 2475; Pestisit türü: fungisit; Vaka Durumu: OPP, pestisit üreticilerinden insan sal ve / veya çevresel etkileri ile ilgili verileri gözden geçiriyor veya OPP, pestisitin yeniden kayt için uygunluunu belirliyor ve RED belgesini gelitiriyor; Aktif madde (AI): 2-n-oktil-4-izotiyazolin-3-on; Veri Çars (DCI) Tarih (leri): 06/05/91, 10/13/95; AI Durumu: Pestisit üreticileri, çalmalar yürütmek ve yeniden kayt için gerekli ücretleri ödemek için taahhütte bulunmu ve bu taahhütleri zamannda yerine getirmektedir.Octhilinone fungisit olarak, soutma kulesi suyunda, boyalarda, kesimde biyosit olarak kullanlmaktadr. yalar, kozmetikler ve ampuann yan sra deri muhafazas için. NSAN ÇALIMALARI: Bir boya imalat irketinde lateks boyalar formüle eden bir içide gelitirilen bir boya küfü olan Octhilinonee kaynakl iddetli alerjik kontakt dermatit. Bir boya üretim fabrikasnn hammadde bölümünde çalan 17 içiden 8’inde ekstremitelerde ve srtn üst ksmnda iddetli kant, eritemli ve ödemli dermatit salgn geliti. HAYVAN ÇALIMALARI: Guinea domuzu maksimizasyon testi, bunun orta derecede bir hassaslatrc olduunu gösterdi. Sçanlarda geliimsel çalmalarda teratojenik yant bildirilmemitir. Octhilinonee, metabolik aktivasyon olan ve olmayan Çin hamsteri yumurtalk hücrelerinde kromozomal sapmalar indükledi. Octhilinone>% 50 toksisite için test edildi. Bireysel hücre verisi yok. Net nükleer tahllarda / hücrede önemli bir art bildirilmedi. Tarama, 2-oktil-4-izotiyazolin-3-on’un (Octhilinone) saflatrlm sçan rekombinant MGL’sini (IC (50) = 88 +/- 12 nM) ksmen tersinir mekanizma. lk yap-aktivite ilikisi çalmalar, oktilonun n-oktil grubunun daha lipofilik bir oleoil grubu ile ikamesinin, inhibitör gücünü artrdn (IC (50) = 43 +/- 8 nM), bir metil grubu ile ikame etmenin ise ters etki yarattn göstermitir. (IC (50) = 239 +/- 68 nM). Octhilinoneun inhibe edici potensi, MGL’de sistein 208’in glisin (IC (50); vahi tip, 151 +/- 17 nM; C208G, 722 +/- 74 nM) olarak mutasyona uratlmasyla seçici olarak azaltld, ancak dier sisteinin mutasyonu ile azalmad kalntlar (C32, C55, C201, C208 ve C242). Sonuçlar, sistein 208’in MGL ilevinde önemli bir rol oynadn gösterdi ve in vitro nanomolar potensli izotiyazolinon bazl MGL inhibitörlerinin yeni bir snfn tanmlad. Okilinonun üretimi, çeitli atk akmlar yoluyla çevreye salnmasyla sonuçlanabilir; bitki yara koruyucu, fungisit / bakteri öldürücü ve soutma kulesi biyositi olarak kullanlmas, dorudan çevreye salnmasna neden olacaktr. Octhilinone’nin boyalarda, kesme yalarnda ve deri muhafazasnda biyosit olarak üretimi ve kullanm, çeitli atk aklar yoluyla çevreye salnmasna neden olabilir. Havaya braklrsa, 25 ° C’de 3.68X10-5 mm Hg’lik bir buhar basnc, octhilinonun atmosferdeki hem buhar hem de partikül fazlarnda bulunacan gösterir. Buhar fazl Octhilinone, fotokimyasal olarak üretilen hidroksil radikalleri ile reaksiyona girerek atmosferde bozunacaktr; Havadaki bu reaksiyonun yar ömrünün 10 saat olduu tahmin edilmektedir. Partikül fazl Octhilinone, slak ve kuru biriktirme yoluyla atmosferden uzaklatrlacaktr. Octhilinone, 280 nm dalga boyunda UV n absorbe eder ve bu nedenle, güne 290 nm’nin üzerindeki dalga boylarndan olutuundan, güne yla dorudan fotolize duyarl olmas beklenmez. Topraa salnrsa, Octhilinoneun tahmini 840’lk bir Koc’a göre düük hareketlilie sahip olmas beklenir. Nemli toprak yüzeylerinden buharlamann, 2.1X10-8 atm-cu m’lik tahmini bir Henry Yasas sabitine dayanan önemli bir kader süreci olmas beklenmez. /köstebek. Octhilinoneun buhar basncna bal olarak kuru toprak yüzeylerinden uçmas beklenmemektedir. Japon MITI testinde oktilinonun aktif çamur kullanlarak biyolojik olarak parçalanabilir olduu doruland, bu da biyolojik bozunmann toprakta önemli bir çevresel kader süreci olduunu gösteriyor. Suya salnrsa, Octhilinoneun askda katlara ve buna bal olarak çökeltiye adsorbe olmas beklenir.tahmini Koç. Octhilinone, nehirde yok olma testi kullanlarak 4 hafta içinde% 40-100 orannda biyolojik olarak parçaland ve biyolojik bozunmann suda önemli bir çevresel kader süreci olabileceini gösterdi. Su yüzeylerinden buharlamann, bu bileiin tahmini Henry Yasas sabitine dayanan önemli bir kader süreci olmas beklenmiyor. Tahmini BCF 19, suda yaayan organizmalardaki biyokonsantrasyon potansiyelinin düük olduunu göstermektedir. Bu bileik, çevresel koullar altnda (pH 5 ila 9) hidrolize olan fonksiyonel gruplardan yoksun olduundan, hidrolizin önemli bir çevresel kader süreci olmas beklenmemektedir. Octhilinonea mesleki maruziyet, Octhilinoneun üretildii veya kullanld iyerlerinde bu bileiin solunmas ve dermal temas yoluyla meydana gelebilir. Kullanm verileri, genel popülasyonun, Octhilinone içeren tüketici ürünleriyle dermal temas yoluyla Octhilinonea maruz kalabileceini göstermektedir. Okilinonun üretimi, çeitli atk akmlar yoluyla çevreye salnmasyla sonuçlanabilir; bitki yara koruyucusu, fungisit / bakterisit (1) ve soutma kulesi biyositi (2,3) olarak kullanlmas, dorudan çevreye (SRC) salnmasna neden olacaktr. Octhilinone’nin boyalarda, kesme yalarnda ve deri muhafazasnda (1) bir biyosit olarak üretimi ve kullanm, çeitli atk aklar (SRC) yoluyla çevreye salnmasna neden olabilir. (1) bir snflandrma emasna göre, tahmini Koç deeri 840’tr. Bir yap tahmin yönteminden (2) belirlenen (SRC), Octhilinoneun toprakta çok düük hareketlilie (SRC) sahip olmasnn beklendiini gösterir. Octhilinoneun nemli toprak yüzeylerinden buharlamasnn, buhar basncna (3.68X10-5) dayal olarak 2.1X10-8 atm-cu m / mol (SRC) tahmini bir Henry Yasas sabiti verildiinde önemli bir kader süreci (SRC) olmas beklenmemektedir. mm Hg (3) ve suda çözünürlük, 500 mg / L (3). Octhilinoneun buhar basncna bal olarak kuru toprak yüzeylerinden (SRC) uçmas beklenmemektedir (3). Octhilinoneun, Japon MITI testinde (4) aktif çamur kullanlarak biyolojik olarak parçalanabilir olduu doruland, bu da biyodegradasyonun toprakta önemli bir çevresel kader süreci olduunu öne sürüyor. 25 ° C’de 2.68X10-5 mm Hg buhar basncna sahip olan (2), ortam atmosferinde hem buhar hem de partikül fazlarnda bulunacaktr. Buhar faz Octhilinone, atmosferde fotokimyasal olarak üretilen hidroksil radikalleri (SRC) ile reaksiyona girerek bozulur; Bu reaksiyonun havada yarlanma ömrü, bir yap tahmin yöntemi kullanlarak türetilen 25 ° C’de (SRC) 4.0X10-11 cu cm / molekül-saniye hz sabitinden hesaplanan 10 saat (SRC) olarak tahmin edilmektedir. (3). Partikül fazl Octhilinone, slak ve kuru biriktirme (SRC) ile havadan uzaklatrlabilir. Octhilinone, 280 nm (4) dalga boyunda UV n absorbe eder ve bu nedenle, güne 290 nm’nin üzerindeki dalga boylarndan olutuundan, güne ile dorudan fotolize duyarl olmas beklenmez. Çamurdan elde edilen bir a kullanan Sanayi ve Ticaret (MITI) (1). 1 mg / L’de bulunan Octhilinone, nehir ölme testi kullanlarak 4 haftada% 40-100 biyolojik olarak parçalanmtr (2). Toprakta, suda ve çökeltide srasyla 30 gün, 20 ° C’de 360 saat ve 3,240 saatlik biyolojik bozunma yar ömürleri bildirilmitir (3). bir yap tahmin yöntemi kullanlarak 25 ° C’de (SRC) 4.0X10-11 cu cm / molekül-sn olarak tahmin edilmitir (1). Bu, cu cm bana 5X10 + 5 hidroksil radikallik atmosferik konsantrasyonda yaklak 10 saatlik bir atmosferik yar ömre karlk gelir (1). Havada 3,3 saatlik bir yar ömür de bildirilmitir (2). Octhilinoneun ozon ile buhar faz reaksiyonu için hz sabiti, bir yap tahmin yöntemi kullanlarak türetilen 25 ° C’de (SRC) 1.8X10-18 cu cm / molekül-sn olarak tahmin edilmitir (1). Bu, cu cm bana 7X10 + 11 ozon molekülü atmosferik konsantrasyonda yaklak 7 günlük bir atmosferik yarlanma ömrüne karlk gelir (3). Çevresel koullar altnda hidrolize olan fonksiyonel gruplarn olmamas nedeniyle oktilinonun ortamda hidrolize uramas beklenmemektedir (4). Octhilinone, 280 nm (5) dalga boyunda UV n absorbe eder ve bu nedenle, güne 290 nm’nin (SRC) üzerindeki dalga boylarndan olutuundan, güne yla dorudan fotolize duyarl olmas beklenmez. Moleküler balant indekslerine dayal bir yap tahmin yöntemi kullanma ), Octhilinoneun Koc deerinin 850 (SRC) olduu tahmin edilebilir. Bir snflandrma emasna (2) göre, bu tahmini Koc deeri, Octhilinoneun toprakta düük hareketlilie (SRC) sahip olmasnn beklendiini göstermektedir. 20 ° C’de 179,8 Koç da rapor edilmitir (3). 10 ug / L konsantrasyondaki Octhilinone, tezgah ölçekli bir testte (4) bir Alman belediye atk su artma tesisi aktif çamur kullanlarak 6 saat içinde <% 90 absorbe edildi.