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61197-09-9

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Basic Information
CAS No.: 61197-09-9
Name: Propyl 2-methyl-3-furyl disulfide
Molecular Structure:
Molecular Structure of 61197-09-9 (Propyl 2-methyl-3-furyl disulfide)
Formula: C8H12OS2
Molecular Weight: 188.30
Synonyms: Propyl2-methyl-3-furyl disulfide;Propyl（2-Methyl-3-furyl)disulfide;
EINECS: 262-650-3
Density: 1.13 g/cm3
Boiling Point: 231.7 °C at 760 mmHg
Flash Point: 94 °C
PSA: 63.74000
LogP: 3.73830
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Chemistry

Molecular Structure of Furan,2-methyl-3-(propyldithio)- (CAS NO.61197-09-9):

IUPAC Name: 2-Methyl-3-(propyldisulfanyl)furan 
Molecular Formula: C8H12OS2
Molecular Weight: 188.30
EINECS: 262-650-3
FEMA: 3607
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 1 
Index of Refraction: 1.562
Molar Refractivity: 53.77 cm3
Molar Volume: 165.6 cm3
Surface Tension: 42.1 dyne/cm
Density: 1.13 g/cm3
Flash Point: 94 °C
Enthalpy of Vaporization: 44.94 kJ/mol
Boiling Point: 231.7 °C at 760 mmHg
Vapour Pressure: 0.0931 mmHg at 25 °C
Canonical SMILES: CCCSSC1=C(OC=C1)C
InChI: InChI=1S/C8H12OS2/c1-3-6-10-11-8-4-5-9-7(8)2/h4-5H,3,6H2,1-2H3
InChIKey: YFPPCUTVJGGSQC-UHFFFAOYSA-N
Product Categories: Furan & Benzofuran; API intermediates; sulfide Flavor

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 284mg/kg (284mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Safety Profile

Safety Information of Furan,2-methyl-3-(propyldithio)- (CAS NO.61197-09-9):
RTECS: JO1975500

Specification

 Furan,2-methyl-3-(propyldithio)- (CAS NO.61197-09-9), its Synonyms are Propyl 2-methyl-3-furyl disulfide ; 2-Methyl-3-(propyldithio)furan ; 2-Methyl-3-furyl propyl disulfide ; Disulfide, 2-methyl-3-furyl propyl .