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Basic Information
CAS No.: 2179-58-0
Name: Methyl allyl disulfide
Article Data: 5
Molecular Structure:
Molecular Structure of 2179-58-0 (Methyl allyl disulfide)
Formula: C4H8S2
Molecular Weight: 120.24
Synonyms: Disulfide,allyl methyl (7CI,8CI);2-Propenyl methyl disulfide;Allyl methyl disulfide;Methyl 2-propenyl disulfide;Methyl allyl disulfide;
EINECS: 218-549-1
Density: 1.022 g/cm3
Boiling Point: 141.4 °C at 760 mmHg
Flash Point: 43.2 °C
Hazard Symbols: Xn,T
Risk Codes: R40; R36/37/38; R25; R20/21/22
PSA: 50.60000
LogP: 2.18360
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Chemistry

Molecular Structure of Disulfide, methyl2-propenyl (CAS NO.2179-58-0):

IUPAC Name: 3-(Methyldisulfanyl)prop-1-ene 
Molecular Formula: C4H8S2
Molecular Weight: 120.24
EINECS: 218-549-1
FEMA: 3127 
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 3
Index of Refraction: 1.529
Molar Refractivity: 36.29 cm3
Molar Volume: 117.5 cm3
Surface Tension: 32.8 dyne/cm
Density: 1.022 g/cm3
Flash Point: 43.2 °C
Enthalpy of Vaporization: 36.3 kJ/mol
Boiling Point: 141.4 °C at 760 mmHg
Vapour Pressure: 7.33 mmHg at 25 °C
Product Categories: sulfide Flavor
Canonical SMILES: CSSCC=C
InChI: InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3
InChIKey: XNZOTQPMYMCTBZ-UHFFFAOYSA-N

Specification

 Disulfide, methyl2-propenyl (CAS NO.2179-58-0), its Synonyms are Allyl methyl disulfide ; Disulfide, allyl methyl ; Methyl 2-propenyl disulfide ; Methyl allyl disulfide ; Allyl methyl disulphide .