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Cas Database |
| Name |
Allyl methanesulfonate |
EINECS | N/A |
| CAS No. | 6728-21-8 | Density | 1.163g/cm3 |
| PSA | 51.75000 | LogP | 1.22940 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H8 O3 S | Boiling Point | 231.1°C at 760 mmHg |
| Molecular Weight | 136.172 | Flash Point | 93.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental neoplastigenic data. Human mutation data reported. See also ALLYL COMPOUNDS and SULFONATES. When heated to decomposition it emits toxic fumes of SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methanesulfonicacid, 2-propenyl ester (9CI); Methanesulfonic acid, allyl ester (7CI,8CI);Allyl mesylate; Allyl methanesulfonate |
Article Data | 17 |
Allyl methanesulfonate Chemical Properties
The Molecular Structure of Allyl methanesulfonate (CAS NO.6728-21-8):
Molecular Formula: C4H8O3S
Molecular Weight: 136.169520 g/mol
IUPAC: prop-2-enyl methanesulfonate
Nominal Mass: 136 Da
Average Mass: 136.1695 Da
Monoisotopic Mass: 136.019414 Da
Classification: Mutation data ; Tumor data
XLog: 0.2
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 136.019415
MonoIsotopic Mass: 136.019415
Topological Polar Surface Area: 43.4
Heavy Atom Count: 8
Complexity: 151
Covalently-Bonded Unit Coun:t 1
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.26 ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 33.07 ACD/KOC (pH 7.4): 33.07
Polar Surface Area: 51.75Å2
Index of Refraction: 1.44
Molar Refractivity: 30.88 cm3
Molar Volume: 117 cm3
Surface Tension: 34.2 dyne/cm
Density: 1.163 g/cm3
Flash Point: 93.6 °C
Enthalpy of Vaporization: 44.88 kJ/mol
Boiling Point: 231.1 °C at 760 mmHg
Vapour Pressure: 0.0962 mmHg at 25°C
Allyl methanesulfonate Toxicity Data With Reference
| 1. | mmo-sat 1 µmol/plate | BCPCA6 Biochemical Pharmacology. 29 (1980),993. | ||
| 2. | dns-hmn:hla 50 µmol/L | CALEDQ Cancer Letters (Shannon, Ireland). 20 (1983),263. |
Allyl methanesulfonate Safety Profile
Questionable carcinogen with experimental neoplastigenic data. Human mutation data reported. See also ALLYL COMPOUNDS and SULFONATES. When heated to decomposition it emits toxic fumes of SOx.
Allyl methanesulfonate Specification
Allyl methanesulfonate (CAS NO.6728-21-8) is called as 4-04-00-00018 (Beilstein Handbook Reference) ; Allyl mesylate ; Allyl methanesulfonate ; BRN 1751182 ; Methanesulfonic acid, 2-propenyl ester (9CI) ; Methanesulfonic acid, allyl ester .
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