Molecular Structure of Trisulfide, dipropyl (CAS NO.6028-61-1):
IUPAC Name: 1-(Propyltrisulfanyl)propane
Empirical Formula: C6H14S3
Molecular Weight: 182.3704
EINECS: 227-903-4
Product Categories: sulfide Flavor
Freely Rotating Bonds: 6
Polar Surface Area: 75.9 Å2
Index of Refraction: 1.548
Molar Refractivity: 53.83 cm3
Molar Volume: 169.4 cm3
Polarizability: 21.34× 10-24 cm3
Surface Tension: 38.7 dyne/cm
Density: 1.076 g/cm3
Flash Point: 106.1 °C
Enthalpy of Vaporization: 47.44 kJ/mol
Boiling Point: 256.8 °C at 760 mmHg
Vapour Pressure: 0.0243 mmHg at 25 °C
Canonical SMILES: CCCSSSCCC
InChI: InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
InChIKey: GAZXPZNJTZIGBO-UHFFFAOYSA-N
Trisulfide, dipropyl (CAS NO.6028-61-1) is used as food additives .
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 800mg/kg (800mg/kg) | Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. |
Trisulfide, dipropyl (CAS NO.6028-61-1), its Synonyms are Dipropyl trisulfide ; Di-n-propyl trisulfide ; Propyl trisulfide ; Dipropyl trisulphide .
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