| Identification | More | [Name]
1,3-Dimethylurea | [CAS]
96-31-1 | [Synonyms]
1,3-DIMETHYLCARBAMIDE
1,3-DIMETHYLUREA
1,3-DIMETHYLUREA(SYM)
AKOS B029718
DMU
LABOTEST-BB LT01690258
N,N'-DIMETHYLUREA
SYM-DIMETHYLUREA
(CH3NH)2CO
1,3-dimethyl-ure
n,n’-dimethylharnstoff
n,n’-dimethyl-ure
N,N'-Dimethylharnstoff
Symmetric dimethylurea
symmetricdimethylurea
Urea, 1,3-dimethyl-
urea,1.3-dimethyl-
N,N'-DIMETHYLUREA (SYM.)
N,N'-DIMETHYL UREA PESTANAL, 250 MG
N,N-DimethylureaForSynthesis | [EINECS(EC#)]
202-498-7 | [Molecular Formula]
C3H8N2O | [MDL Number]
MFCD00008286 | [Molecular Weight]
88.11 | [MOL File]
96-31-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystals | [Melting point ]
101-104 °C(lit.)
| [Boiling point ]
268-270 °C(lit.)
| [bulk density]
500kg/m3 | [density ]
1.142 | [vapor pressure ]
6 hPa (115 °C) | [refractive index ]
1.4715 (estimate) | [Fp ]
157 °C
| [storage temp. ]
Store at RT. | [solubility ]
H2O: 0.1 g/mL, clear, colorless
| [form ]
Crystals | [pka]
14.57±0.46(Predicted) | [color ]
White | [PH]
9.0-9.5 (100g/l, H2O, 20℃) | [Water Solubility ]
765 g/L (21.5 ºC) | [BRN ]
1740672 | [Cosmetics Ingredients Functions]
NAIL CONDITIONING | [InChI]
1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6) | [InChIKey]
MGJKQDOBUOMPEZ-UHFFFAOYSA-N | [SMILES]
CNC(=O)NC | [LogP]
-0.783 at 25℃ | [CAS DataBase Reference]
96-31-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Urea, N,N'-dimethyl-(96-31-1) | [EPA Substance Registry System]
96-31-1(EPA Substance) |
| Questions And Answer | Back Directory | [Synthesis]
In a 500 mL stirred autoclave, 3.0 g of urea, 80 g of methanol, and 5 g of Ru/BEA catalyst were thoroughly mixed to prevent the catalyst from settling to the bottom. After shutting off the autoclave, 100 g of ammonia was added to the reactor, and the mixture was heated to 200°C. After a 4-hour reaction time, the reaction was stopped, and the autoclave was cooled and the pressure reduced. The cooled solution was separated from the catalyst through a filter. The catalyst was boiled with an acetone/water mixture (1:1) at 80°C. The filtrate and washings were combined and concentrated to dryness. The obtained product was dried in a vacuum drying oven at 40°C. 3.5 g of product was separated in this manner. The composition of the product was determined by quantitative HPLC, yielding 84.6% 1,3-dimethylurea. The synthetic route is shown below:  | [Description]
1, 3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis. It is a colorless crystalline powder with little toxicity. It 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 % (Swiss Product Register, 2003). Use in cosmetics has been proposed, but there is no information available as to its actual use in such applications.
|
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS08 | [Signal word ]
Warning | [Hazard statements ]
H373 | [Precautionary statements ]
P260-P314-P501 | [Risk Statements ]
R62:Possible risk of impaired fertility.
R63:Possible risk of harm to the unborn child.
R68:Possible risk of irreversible effects. | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
1
| [RTECS ]
YS9868000
| [F ]
10-21 | [Autoignition Temperature]
400 °C | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29241900 | [Storage Class]
11 - Combustible Solids | [Safety Profile]
Moderately toxic by
intraperitoneal route. Experimental
teratogenic and reproductive effects. Human
mutation data reported. When heated to
decomposition it emits toxic fumes of NOx
| [Hazardous Substances Data]
96-31-1(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 4000 mg/kg |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Methylamine | [Preparation Products]
Caffeine-->6-AMINO-1,3-DIMETHYL-5-NITROSOURACIL-->3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt-->mebikar-->6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione-->1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea-->Disperse Red 9-->BenzaMide, N-Methyl-3,5-dinitro--->2-(4-Chlorophenyl)-N-Methylacetamide |
| Hazard Information | Back Directory | [General Description]
Colorless crystals. | [Reactivity Profile]
N,N'-DIMETHYLUREA(96-31-1) 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). | [Air & Water Reactions]
Water soluble. | [Health Hazard]
ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. | [Fire Hazard]
Flash point data for this chemical are not available; N,N'-DIMETHYLUREA is probably combustible. | [Chemical Properties]
white crystals | [Uses]
N,N′-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.
| [Definition]
ChEBI: A member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3. | [reaction suitability]
reagent type: ligand
reaction type: C-H Activation | [Purification Methods]
Crystallise the urea from acetone/diethyl ether by cooling in an ice bath. Also crystallise it from EtOH and dry it at 50o/5mm for 24hours [Bloemendahl & Somsen J Am Chem Soc 107 3426 1985]. [Beilstein 4 IV 207.] |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|