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| CAS No.: | 14285-43-9 |
|---|---|
| Name: | 4-(methylsulfanyl)-3-(propan-2-yl)phenyl methylcarbamate |
| Molecular Structure: | |
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| Formula: | C12H17 N O2 S |
| Molecular Weight: | 239.338 |
| Synonyms: | Carbamicacid, methyl-, 4-(methylthio)-m-cumenyl ester (7CI,8CI); Phenol,3-(1-methylethyl)-4-(methylthio)-, methylcarbamate (9CI); Phenol,3-isopropyl-4-(methylthio)-, methylcarbamate (8CI);3-Isopropyl-4-(methylthio)phenyl methylcarbamate;4-(Methylthio)-3-isopropylphenyl N-methylcarbamate; ACD 7029 |
| Density: | 1.12g/cm3 |
| Boiling Point: | 322.4°Cat760mmHg |
| Flash Point: | 148.8°C |
| Safety: | Poison by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also CARBAMATES. |
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Chemistry
IUPAC Name: (4-Methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate
Following is the structure of Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester (CAS NO.14285-43-9):
Empirical Formula: C12H17NO2S
Molecular Weight: 239.3339 g/mol
Surface Tension: 42.3 dyne/cm
Density: 1.12 g/cm3
Flash Point: 148.8 °C
Enthalpy of Vaporization: 56.43 kJ/mol
Boiling Point: 322.4 °C at 760 mmHg
Vapour Pressure: 0.00028 mmHg at 25 °C
Index of Refraction of Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester (CAS NO.14285-43-9): 1.549
Canonical SMILES: CC(C)C1=C(C=CC(=C1)OC(=O)NC)SC
InChI: InChI=1S/C12H17NO2S/c1-8(2)10-7-9(15-12(14)13-3)5-6-11(10)16-4/h5-8H,1-4H3,(H,13,14)
InChIKey: COEYNUSLWGVZRD-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-pgn LD50:13 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. | ||
| 2. | orl-dck LD50:7500 µg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. | ||
| 3. | orl-brd LD50:1800 µg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. |
Safety Profile
Poison by ingestion. When heated to decomposition, Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester (CAS NO.14285-43-9) emits very toxic fumes of NOx and SOx. See also CARBAMATES.
Specification
Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester , its cas register number is 14285-43-9. It also can be called Phenol, 3-(1-methylethyl)-4-(methylthio)-, methylcarbamate .