Molecular Structure of Methyl furfuryl disulfide (CAS NO.57500-00-2):
IUPAC Name: 2-[(Methyldisulfanyl)methyl]furan
Molecular Formula: C6H8OS2
Molecular Weight: 160.25
EINECS: 260-773-7
FEMA: 3362
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 1
Index of Refraction: 1.577
Molar Refractivity: 44.09 cm3
Molar Volume: 132.9 cm3
Surface Tension: 42.3 dyne/cm
Density: 1.205 g/cm3
Flash Point: 87 °C
Enthalpy of Vaporization: 45.58 kJ/mol
Boiling Point: 238.3 °C at 760 mmHg
Vapour Pressure: 0.066 mmHg at 25 °C
Appearance: Brown to dark brown liquid
Product Categories: sulfide Flavor
Canonical SMILES: CSSCC1=CC=CO1
InChI: InChI=1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3
InChIKey: CLSLQQCDHOZMDT-UHFFFAOYSA-N
Safety Information of Methyl furfuryl disulfide (CAS NO.57500-00-2):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
Methyl furfuryl disulfide (CAS NO.57500-00-2), its Synonyms are Furan, 2-((methyldithio)methyl)- ; Methyl 2-furylmethyl disulfide ; 2-((Methyldithio)methyl)furan ; Furfuryl methyl disulfide ; Methyl furfuryl disulphide .
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