1,3-DIMETHYLUREA

1,3-DIMETHYLUREA

1,3-Dimethylurea is utilized in the synthesis of various chemicals, including caffeine and theophylline, and is also a crucial component in the production of fiber treatment agents and herbicides.

The estimated global production of 1,3-Dimethylurea is less than 25,000 tons, with applications spanning from pharmaceutical manufacturing to the formulation of pH regulators and cleaning products.

1,3-Dimethylurea is soluble in water and alcohols, with a melting point of -3°C, and its physical properties make it suitable for use in a range of chemical reactions and formulations.

CAS number: 96-31-1

EC number: 202-498-7

Chemical Formula: CH₃NHCONHCH₃

Molar Mass: 88.11 g/mol

Synonyms: N,N′-Dimethylurea, DMU, 1,3-Dimethylurea, 1,3-DIMETHYLUREA, N,N’-Dimethylurea, 96-31-1, sym-Dimethylurea, Urea, N,N’-dimethyl-, Symmetric dimethylurea, Urea, 1,3-dimethyl-, N,N’-Dimethylharnstoff, 1,3-Dimethyl urea, NSC 14910, BRN 1740672, AI3-24386, MFCD00008286, WAM6DR9I4X, DMU, DTXSID5025156, CHEBI:80472, Urea,3-dimethyl-, Urea,N’-dimethyl-, NSC-14910, 1,3-Dimethylurea, 98%, WLN: 1MVM1, CCRIS 2509, HSDB 3423, EINECS 202-498-7, UNII-WAM6DR9I4X, Dimethylharnstoff, 1.3-Dimethylurea, N,N-Dimethyl-Urea, 1,3 dimethyl urea, N,N’-dimethyl urea, 1,1′-Dimethylurea, 1,3-Dimethylcarbamide, bmse000248, EC 202-498-7, UREA,1,3-DIMETHYL, (CH3NH)2CO, DIMETHYL UREA [INCI], DIMETHYLUREA, N,N’-, N,N’-Dimethylurea, ~98%, DTXCID605156, CHEMBL1234380, 1,3-DIMETHYLUREA [HSDB], NSC14910, NSC24823, Tox21_200794, 1,3-Dimethylurea;N,N’-Dimethylurea, NSC-24823, AKOS000120912, CS-W013749, PB47928, CAS-96-31-1, NCGC00248834-01, NCGC00258348-01, SY004507, N,N inverted exclamation mark -Dimethylurea, A4569, D0289, FT-0606700, EN300-20740, P17517, ethyl 5-oxo-2,3-diphenyl cyclopentanecarboxylate, A845576, N,N’-Dimethylurea, (sym.), >=99% (from N), Q419740, W-100145, N,N’-Dimethylurea, PESTANAL(R), analytical standard,

F0001-2292, N,N’-Dimethylurea, (sym.), >=95.0% (HPLC), technical, InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6), Urea, 1,3-dimethyl-, sym-Dimethylurea, N,N’-Dimethylurea, Symmetric dimethylurea, 1,3-Dimethylurea, (CH3NH)2CO, 1,1′-Dimethylurea, DMU, N,N’ Dimethylharnstoff, NSC 14910, (CH3NH)2CO, 1,1′-Dimethylurea, 1,3-dimethylurea, DMU, N,N’-Dimethylharnstoff, N,N’-dimethylurea, NSC 14910, Symmetric dimethylurea, sym-Dimethylurea, urea, 1,3-dimethyl-,

syM,N,N’-DIMETHYLUREA, (CH3NH)2CO, AKOS B029718, 1.3-DiMethyl u, 1,3-dimethyl-ure, SYM-DIMETHYLUREA, 1,3-DIMETHYLUREA, n,n’-dimethyl-ure,Dimethylcarbamide

N,N’-Dimethyl urea, 1,3-Dimethylurea, N,N’-dimethyl-Urea, 1,3-dimethyl-ure, n,n’-dimethylharnstoff, n,n’-dimethylharnstoff (german), n,n’-dimethylurea, sym-dimethylurea, Urea, 1,3-dimethyl-, sym-Dimethylurea, N,N’-Dimethylurea, Symmetric dimethylurea, 1,3-Dimethylurea, (CH3NH)2CO, 1,1′-Dimethylurea, DMU, N,N’-Dimethylharnstoff, NSC 14910, Urea, N,N′-dimethyl-, Urea, 1,3-dimethyl-, N,N′-Dimethylurea, 1,3-Dimethylurea, Symmetric dimethylurea, sym-Dimethylurea,

NSC 14910, NSC 24823, Urea,1,3-dimethyl- (8CI), N,N’-Dimethylurea, NSC 14910, NSC 24823, Symmetric dimethylurea, sym-Dimethylurea, Urea,N,N’-dimethyl, UNII-WAM6DR9I4X, MeNHNCONHMe, sym-Dimethylurea, N,N`-Dimethylurea,

1,3-Dimethylurea is an organic chemical substance, CAS No.:96-31-1, molecular formula: C3H8N2O

1,3-Dimethylurea is a colorless, volatile liquid with a penetrating odor.

1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.

1,3-Dimethylurea is a colorless crystalline powder with little toxicity.

1,3-Dimethylurea is also used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.

In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.

In the Swiss Product Register there are 38 products containing 1,3-Dimethylurea, among them 17 products intended for consumer use.

Product types are e.g. paints and cleaning agents.

The content of 1,3-Dimethylurea in consumer products is up to 10 %.

Use in cosmetics has been proposed, but there is no information available as to 1,3-Dimethylurea’s actual use in such applications.

1,3-Dimethylurea is a white crystals.

1,3-Dimethylurea is a colorless, volatile liquid with a penetrating odor.

1,3-Dimethylurea is soluble in water and alcohols and has a melting point of -3°C.

1,3-Dimethylurea is a colorless powder, used as building block for active ingredients or intermediate for formaldehyde-free textile additives.

1,3-Dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.

1,3-Dimethylurea is water soluble.

1,3-Dimethylurea is an organic compound that has been shown to bind to the carbonyl group of proteins and act as a hydrogen-bond donor.

The nitrogen atoms are coordinated to form two pyramidal structures with the hydrogen bonding between the nitrogen atoms.

This coordination geometry leads to a molecule that is planar and the frequency shift of IR spectroscopy data confirms this structure.

The reaction mechanism for 1,3-Dimethylurea begins with an attack by the oxygen atom on the carbon atom of tetramethylurea forming an intermediate called trimethylamine, which then reacts with trifluoroacetic acid (TFA) leading to the formation of 1,3-Dimethylurea.

1,3-Dimethylurea is a colorless crystals.

1,3-Dimethylurea Market revolves around the production and distribution of the chemical compound 1,3-Dimethylurea, identified by the CAS (Chemical Abstracts Service) number 96–31–1.

1,3-Dimethylurea is a derivative of urea and is characterized by its molecular structure, consisting of two methyl groups attached to the nitrogen atoms of the urea molecule.

1,3-Dimethylurea Market plays a crucial role in the chemical industry, serving as a key intermediate in the synthesis of various chemicals, including pharmaceuticals and agrochemicals.

1,3-Dimethylurea is utilized as a building block in the creation of complex molecules, contributing to advancements in drug development and agricultural formulations.

The growth of the 1,3-Dimethylurea Market is propelled by several key factors.

Primarily, 1,3-Dimethylurea’s significance as an intermediate in the synthesis of pharmaceuticals drives its demand, as 1,3-Dimethylurea plays a crucial role in the development of diverse drug compounds.

Uses of 1,3-Dimethylurea:

1,3-Dimethylurea is used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.

In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.

1,3-Dimethylurea is a colorless crystalline powder with little toxicity.

1,3-Dimethylurea is also used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.

In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.

1,3-Dimethylurea is used in the following products: pH regulators and water treatment products and laboratory chemicals.

1,3-Dimethylurea is used in the following areas: health services and scientific research and development.

1,3-Dimethylurea is used for the manufacture of: chemicals.

1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.

1,3-Dimethylurea is a colorless crystalline powder with little toxicity.

In medicine, 1,3-Dimethylurea is used to synthesize theophylline, caffeine and nifedipine hydrochloride, etc.

1,3-Dimethylurea is used by professional workers (widespread uses), in formulation or re-packing and at industrial sites.

1,3-Dimethylurea is used in the following products: pH regulators and water treatment products and laboratory chemicals.

1,3-Dimethylurea is used in the following areas: health services and scientific research and development.

Use in cosmetics of 1,3-Dimethylurea has been proposed, but there is no information available as to its actual use in such applications.

1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others.

1,3-Dimethylurea is used in the textile processing industry.

1,3-Dimethylurea is also used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.

1,3-Dimethylurea is used as an intermediate in organic synthesis. Ungraded products supplied by Spectrum are indicative of a grade suitable for general industrial use or research purposes and typically are not suitable for human consumption or therapeutic use.

1,3-Dimethylurea is used as an intermediate in the synthesis of theophylline and caffeine, and also used in the production of fiber treatment agents

1,3-Dimethylurea is used in manufacturing synthetic caffeine, resins and drugs.

1,3-Dimethylurea is used as a catalyst for condensation of methylamine with urea.

1,3-Dimethylurea is used as a pharmaceutical drug to treat hyperammonemia.

1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.

1,3-Dimethylurea is used in pharmaceutical manufacturing.

1,3-Dimethylurea is used as an intermediate to make caffeine, pharmachemicals, textile aids, herbicides, paints, and cleaning products.

1,3-Dimethylurea is used as textile auxiliaries to produce formaldehyde-free anti-wrinkle finishing products.

1,3-Dimethylurea is used in cosmetics as an emollient.

1,3-Dimethylurea is used in medicine and can produce a variety of raw materials.

1,3-Dimethylurea is used in chemical industry, it can synthesize a variety of chemical products.

1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.

1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others.

1,3-Dimethylurea is used in the textile processing industry.

Pharmaceutical intermediates, 1,3-Dimethylurea is also used in the production of fiber treatment agents.

In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.

1,3-Dimethylurea is used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.

In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.

1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others.

In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.

The estimated world production of 1,3-Dimethylurea is estimated to be less than 25,000 tons.

Other release to the environment of 1,3-Dimethylurea is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners).

Release to the environment of 1,3-Dimethylurea can occur from industrial use: formulation of mixtures.

Release to the environment of 1,3-Dimethylurea can occur from industrial use: as an intermediate step in further manufacturing of another substance (use of intermediates), in processing aids at industrial sites and as processing aid.

1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.

In the Swiss Product Register there are 38 products containing 1,3-Dimethylurea, among them 17 products intended for consumer use.

Product types of 1,3-Dimethylurea are e.g. paints and cleaning agents.

The content of 1,3-Dimethylurea in consumer products is up to 10 %.

1,3-Dimethylurea can be used as a starting material to synthesize N,N′-dimethyl-6-amino uracil.

In combination with β-cyclodextrin derivatives, to form low melting mixtures (LMMs), which can be used as solvents for hydroformylation and Tsuji-Trost reactions.

To synthesize N,N′-disubstituted-4-aryl-3,4-dihydropyrimidinones via Biginelli condensation under solvent-free conditions.

Features of 1,3-Dimethylurea:

Good stability:

1,3-Dimethylurea has good stability and are suitable for various synthetic chemical reactions, ensuring the stability and reliability of our customers’ production processes.

Analysis of 1,3-Dimethylurea:

Synthesis Analysis:

A practically simple, mild, and efficient method has been developed for the synthesis of N-substituted ureas by nucleophilic addition of amines to potassium isocyanate in water without an organic co-solvent.

Chemical Reactions Analysis:

The reaction of 1,3-Dimethylurea with formaldehyde has been studied in detail using quantitative on-line NMR spectroscopy.

The system undergoes only four reactions and, unlike urea–formaldehyde, does not form polymers.

Physical And Chemical Properties Analysis:

1,3-Dimethylurea is a colorless crystalline powder with little toxicity.

The effects of concentration variation of 1,3-DMU in distilled water on dielectric and electrical properties have been discussed to gain information about the self-aggregative nature of 1,3-Dimethylurea and dissociation process in aqueous solutions

Molecular Structure Analysis:

1,3-Dimethylurea forms needle-shaped crystals.

The Raman spectra of DMU crystal have been measured, and the density function theory with a B3LYP/6-311G basis set has been used to optimize the geometry structure and calculate the vibrational frequency of gas phase DMU.

Purification Methods of 1,3-Dimethylurea:

Crystallise the urea from acetone/diethyl ether by cooling in an ice bath.

Also crystallise 1,3-Dimethylurea from EtOH and dry it at 50o/5mm for 24hours.

Production Method of 1,3-Dimethylurea:

Industry uses molten urea and monomethyl amine action to make.

First, the area into the melting tank, heated to 130-135C to melt 1,3-Dimethylurea, transferred to the reaction tower has been heated to 110-120C, continue to raise the temperature to 150-175 ℃, began to pass the purified monomethyl amine gas, until the monomethyl amine all through, that is, the reaction is completed, the creation of even dimethyl urea finished products.

Handling And Storage of 1,3-Dimethylurea:

Precautions for safe handling:

Hygiene measures:

Handle in accordance with good industrial hygiene and safety practice.

Wash hands before breaks and at the end of workday.

Conditions for safe storage, including any incompatibilities:

Storage conditions:

Store in cool place.

Keep container tightly closed in a dry and well-ventilated place.

Storage class:

Storage class (TRGS 510): 13:

Non Combustible Solids

Stability And Reactivity of 1,3-Dimethylurea:

Reactivity:

1,3-Dimethylurea is an amide.

Amides/imides react with azo and diazo compounds to generate toxic gases.

Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents.

Amides are very weak bases (weaker than water).

Imides are less basic yet and in fact react with strong bases to form salts.

That is, they can react as acids.

Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile.

The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Chemical stability:

Stable under recommended storage conditions.

Possibility of hazardous reactions:

No data available

Conditions to avoid:

No data available

First Aid Measures of 1,3-Dimethylurea:

General advice:

Consult a physician.

Show this material safety data sheet to the doctor in attendance.

If inhaled:

If breathed in, move person into fresh air.

Consult a physician.

In case of skin contact:

Wash off with soap and plenty of water.

Consult a physician.

In case of eye contact:

Flush eyes with water as a precaution.

If swallowed:

Never give anything by mouth to an unconscious person.

Rinse mouth with water.

Consult a physician.

Indication of any immediate medical attention and special treatment needed:

No data available

Fire Fighting Measures of 1,3-Dimethylurea:

Suitable extinguishing media:

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Further information:

No data available

Accidental Release Measures of 1,3-Dimethylurea:

Environmental precautions:

Do not let product enter drains.

Methods and materials for containment and cleaning up:

Pick up and arrange disposal without creating dust.

Sweep up and shovel.

Keep in suitable, closed containers for disposal.

Exposure Controls/Personal Protection of 1,3-Dimethylurea:

Personal protective equipment:

Eye/face protection:

Use equipment for eye protection.

Skin protection:

Handle with gloves.

Wash and dry hands.

Full contact:

Material: Nitrile rubber

Minimum layer thickness: 0,11 mm

Break through time: 480 min

Splash contact:

Material: Nitrile rubber

Minimum layer thickness: 0,11 mm

Break through time: 480 min

Body Protection:

Choose body protection

Respiratory protection:

Respiratory protection is not required.

Control of environmental exposure:

Do not let product enter drains.

Identifiers of 1,3-Dimethylurea:

CAS No.: 96-31-1

Molecular Formula: C3H8N2O

InChIKeys: InChIKey=MGJKQDOBUOMPEZ-UHFFFAOYSA-N

Molecular Weight: 88.11

Exact Mass: 88.11

EC Number: 202-498-7

UNII: WAM6DR9I4X

ICSC Number: 1745

NSC Number: 24823|14910

DSSTox ID: DTXSID5025156

Color/Form: RHOMBIC BIPYRAMIDAL CRYSTALS FROM CHLOROFORM-ETHER|COLORLESS PRISMS

HScode: 2924199090

PSA: 41.1

XLogP3: -0.5

Appearance: N,n’-dimethylurea appears as colorless crystals. (NTP, 1992)

Density: 1.142 g/cm3

Freezing point: 103’C Min

Volatile Content: ≤ 0.2%

Melting point: 104’C

CAS number: 96-31-1

EC number: 202-498-7

Hill Formula: C₃H₈N₂O

Chemical formula: CH₃NHCONHCH₃

Molar Mass: 88.11 g/mol

HS Code: 2924 19 00

Boiling point: 268 – 270 °C (1013 hPa)

Density: 1.14 g/cm3 (20 °C)

Flash point: 157 °C DIN 51758

Ignition temperature: 400 °C

Melting Point: 101 – 104 °C

pH value: 9.0 – 9.5 (H₂O)

Vapor pressure: Bulk density: 500 kg/m3

Solubility: 765 g/l

Chemical Name: N,N’-dimethylurea

CAS No.: 96-31-1

Molecular Formula: C3H8N2O

Molecular Weight: 88.10840

PSA: 41.13000

LogP: 0.32700

Appearance & Physical State: white flake

Density: 1.142

Boiling Point: 268-270ºC

Melting Point: 101-105ºC

Flash Point: 157ºC

Refractive Index: 1.413

Water Solubility: 765 g/L (21.5 ºC)

Stability: Stable under normal temperatures and pressures.

Storage Condition: Store at RT.

Melting point: 101-104 °C(lit.)

Boiling point: 268-270 °C(lit.)

Density: 1.142

Properties of 1,3-Dimethylurea:

Chemical formula: C3H8N2O

Molar mass: 88.110 g·mol−1

Appearance: Colorless, waxy crystals

Odor: Odorless

Density: 1.142 g mL−1

Melting point: 104.4 °C; 219.8 °F; 377.5 K

Boiling point: 269.1 °C; 516.3 °F; 542.2 K

Solubility in water: 765 g L−1

Molecular Weight: 88.11 g/mol

XLogP3: -0.5

Hydrogen Bond Donor Count: 2

Hydrogen Bond Acceptor Count: 1

Rotatable Bond Count: 0

Exact Mass: 88.063662883 g/mol

Monoisotopic Mass: 88.063662883 g/mol

Topological Polar Surface Area: 41.1Ų

Heavy Atom Count: 6

Complexity: 46.8

Isotope Atom Count: 0

Defined Atom Stereocenter Count: 0

Undefined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

Covalently-Bonded Unit Count: 1

Compound Is Canonicalized: Yes

Physical state: flakes

Color: colorless

Odor: amine-like

Melting point/freezing point:

Melting point/range: 103 – 106 °C

Initial boiling point and boiling range: 268 – 270 °C – lit.

Flammability (solid, gas): No data available

Upper/lower flammability or explosive limits: No data available

Flash point: 157 °C – closed cup

Autoignition temperature: No data available

Decomposition temperature: No data available

pH: 9,0 – 9,5

Viscosity

Viscosity, kinematic: No data available

Viscosity, dynamic: No data available

Water solubility: 765 g/l at 21,5 °C – soluble

Partition coefficient:

n-octanol/water: log Pow: -0,783

Vapor pressure: No data available

Density: 1,14 g/cm3 at 20 °C

Relative density: No data available

Relative vapor density: No data available

Particle characteristics: No data available

Explosive properties: No data available

Oxidizing properties: No data available

Other safety information:

Bulk density 0,50 g/l

Molecular Formula: CH3NHCONHCH3

CAS No: 96-31-1

EINECS: 202-498-7

Molecular Weight: 88.11

Appearance: White Crystals

Assay: ≥ 95%

Assay: ≥97.5%

Water: ≤0.5

Density: 0.9±0.1 g/cm3

Boiling Point: 269.0±0.0 °C at 760 mmHg

Melting Point: 101-104 °C(lit.)

Molecular Formula: C3H8N2O

Molecular Weight: 88.108

Flash Point: 124.3±18.9 °C

Exact Mass: 88.063660

PSA: 41.13000

LogP: -1.01

Vapour Pressure: 0.0±0.5 mmHg at 25°C

Index of Refraction: 1.414

Storage condition: Store at RT.

Water Solubility: 765 g/L (21.5 ºC)

Synonyms: 1,3-Dimethylurea

Molecular Weight: 88.11

Molecular Formula: C3H8N2O

Thermochemistry of 1,3-Dimethylurea:

Std enthalpy of formation (ΔfH⦵298): −312.1–−312.1 kJ mol−1

Std enthalpy of combustion (ΔcH⦵298): −2.0145–−2.0089 MJ mol−1

Magnetic susceptibility (χ): -55.1·10−6 cm3/mol