Allyl-methanesulfonate: 0 Products found
Name
Allyl-methanesulfonate
EINECS
CAS No.
6728-21-8
Density
Solubility
Melting Point
Formula
C4H8 O3 S
Boiling Point
Molecular Weight
136.18
Flash Point
Transport Information
Appearance
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
Molecular Structure
Hazard Symbols
Synonyms
Methanesulfonicacid, 2-propenyl ester (9CI); Methanesulfonic acid, allyl ester (7CI,8CI);Allyl mesylate; Allyl methanesulfonate

History

Formaldehyde was first reported by the Russian chemist Aleksandr Butlerov (1828-1886), but it was conclusively identified by August Wilhelm von Hofmann.

Chemistry

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

Toxicity

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.

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.

Others

 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 .