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| CAS No.: | 51-79-6 |
|---|---|
| Name: | Urethane |
| Molecular Structure: | |
|
|
|
| Formula: | C3H7NO2 |
| Molecular Weight: | 89.0941 |
| Synonyms: | Ethylaminoformate;Ethyl carbamate;Ethylurethane;Leucethane;O-Ethylurethane;Pracarbamine; |
| EINECS: | 200-123-1 |
| Density: | 1.045 g/cm3 |
| Melting Point: | 48-50 °C(lit.) |
| Boiling Point: | 184 °C at 760 mmHg |
| Flash Point: | 97.2 °C |
| Solubility: | slightly soluble |
| Appearance: | COA |
| Hazard Symbols: |
 T
|
| Risk Codes: | 45 |
| Safety: | 53-45-99 |
| PSA: | 52.32000 |
| LogP: | 0.80190 |
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cyclohexane
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N,O-bistrimethylsilyl-N-(ethoxycarbonyl)hydroxylamine
A
- 107-46-0
Hexamethyldisiloxane
B
- 1541-19-1
ethyl N-cyclohexylcarbamate
C
- 51-79-6
urethane
| Conditions | Yield |
|---|---|
| at 100℃; for 25h; | A 100% B 80% C 8% |
| at 45℃; for 58h; Irradiation; | A 75% B 45% C 55% |
| Conditions | Yield |
|---|---|
| With alumina supported chromium oxide-nickel oxide-bismuth oxide trimetal oxide catalyst at 90℃; for 12h; Sealed tube; | 99.1% |
| at 179.84℃; for 7h; Autoclave; | 90% |
- 75934-53-1
ethyl-N-(carboethoxy)-N-nitrocarbamate
A
- 62258-40-6
N-nitrouretahne ammonium salt
B
- 51-79-6
urethane
| Conditions | Yield |
|---|---|
| With ammonia In acetonitrile for 0.0833333h; | A 99% B 0.15 g |
- 51-79-6
urethane
| Conditions | Yield |
|---|---|
| sodium hydrogencarbonate | 96% |
- 24482-75-5
Dichloronitroacetic acid ethyl ester
- 51-79-6
urethane
| Conditions | Yield |
|---|---|
| With ammonium hydroxide for 48h; Ambient temperature; | 91% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In dichloromethane at -2 - 2℃; for 6h; | 90% |
| With perchloric acid on silica gel at 20℃; for 0.75h; | 73% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide; Petroleum ether; benzene | 90% |
A
- 36600-01-8
N-methyl-N-octylformamide
B
- 51-79-6
urethane
| Conditions | Yield |
|---|---|
| With acetic acid In 1,4-dioxane at 20℃; for 1h; | A 89% B n/a |
| Conditions | Yield |
|---|---|
| With tetraethylammonium perchlorate In acetonitrile preparative electrolyse, - 2.3 V; | A 87% B n/a C n/a |
| Conditions | Yield |
|---|---|
| With ethanol; carbon monoxide In ethanol to degassed ethanol educt added with stirring while CO bubled through for 15 h; product filtered off, washed with ethanol and hexane, dried in vac.; elem. anal.; | A 85% B n/a |
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Consensus Reports
NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1974,p. 111.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Community Right-To-Know List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Standards and Recommendations
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
Specification
The Urethane with CAS registry number of 51-79-6 is also called Carbamic acid, ethylester. Its EINECS registry number is 200-123-1. The IUPAC name is ethyl carbamate. In addition, the molecular formula is C3H7NO2 and the molecular weight is 89.09. It is a kind of white crystalline powder. And it is incompatible with strong acids, strong bases and strong oxidizing agents.
Physical properties about this chemical are: (1)ACD/LogP: -0.15; (2)ACD/LogD (pH 5.5): -0.15; (3)ACD/LogD (pH 7.4): -0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.74; (7)ACD/KOC (pH 7.4): 19.74; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.413; (13)Molar Refractivity: 21.25 cm3; (14)Molar Volume: 85.2 cm3; (15)Polarizability: 8.42 ×10-24cm3; (16)Surface Tension: 33.6 dyne/cm; (17)Density: 1.045 g/cm3; (18)Flash Point: 97.2 °C; (19)Enthalpy of Vaporization: 42.03 kJ/mol; (20)Boiling Point: 184 °C at 760 mmHg; (21)Vapour Pressure: 0.748 mmHg at 25°C.
Preparation of Urethane: it can be prepared by urea nitrate, ethanol and sodium nitrite in the presence of sulfuric acid. This reaction is a kind of esterification reaction. Then go through the operation of distillation, crystallization and drying to get the products. In addition, it can be prepared by ethanol and cyanic acid;sodium cyanate. This reaction will need reagent HCl and solvent CH2Cl2. The reaction time is 6 hours at reaction temperature of -2 - 2 °C. The yield is about 90%.
Uses of Urethane: this chemical can be used as intermediates for medicine, pesticides and perfume. And it is used for biochemical research and the production of sleeping pills and tranquilizers. Moreover, it can be used as fungicides, cosolvent of injection and colorants in dyeing industry. In addition, it can be used to get isocyanatophosphoric acid-dichloride. This reaction will need reagent PCl5 and solvent CH2Cl2. The reaction time is 4 hours by heating. The yield is about 65%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause cancer. Avoid exposure-obtain special instructions before use. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). In addition, you should keep container in a well-ventilated place.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N
(2)InChI: InChI=1/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
(3)InChIKey: JOYRKODLDBILNP-UHFFFAOYAY
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LDLo | oral | 2188mg/kg (2188mg/kg) | "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931. | |
| guinea pig | LDLo | intraarterial | 800mg/kg (800mg/kg) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 131, Pg. 171, 1928. | |
| guinea pig | LDLo | intravenous | 800mg/kg (800mg/kg) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 131, Pg. 171, 1928. | |
| mouse | LD50 | intraperitoneal | 1539mg/kg (1539mg/kg) | Progress in Mutation Research. Vol. 1, Pg. 682, 1981. | |
| mouse | LD50 | intravenous | 500mg/kg (500mg/kg) | Acta Pharmaceutica Jugoslavica. Vol. 5, Pg. 43, 1955. | |
| mouse | LD50 | oral | 2500mg/kg (2500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 595, 1959. | |
| mouse | LD50 | subcutaneous | 1750mg/kg (1750mg/kg) | Gann. Japanese Journal of Cancer Research. Vol. 63, Pg. 731, 1972. | |
| mouse | LD50 | unreported | 2gm/kg (2000mg/kg) | British Journal of Cancer. Vol. 6, Pg. 160, 1952. | |
| mouse | LDLo | parenteral | 1gm/kg (1000mg/kg) | GASTROINTESTINAL: PERITONITIS | Progress Report for Contract No. PH-43-63-1132, Submitted to the National Cancer Institute by Scientific Associates, Inc. Vol. PH-43-62-483, |
| pigeon | LDLo | oral | 800mg/kg (800mg/kg) | "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931. | |
| rabbit | LDLo | intravenous | 2gm/kg (2000mg/kg) | "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 272, 1973. | |
| rat | LD50 | intramuscular | 1400mg/kg (1400mg/kg) | Zeitschrift fuer Krebsforschung und Klinische Onkologie. Vol. 84, Pg. 227, 1975. | |
| rat | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | Cancer Research. Vol. 26, Pg. 1448, 1966. | |
| rat | LD50 | oral | 1809mg/kg (1809mg/kg) | Cancer Letters Vol. 57, Pg. 37, 1991. | |
| rat | LDLo | subcutaneous | 1800mg/kg (1800mg/kg) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 182, Pg. 348, 1936. |