Thiophene

  • Identifiers

    CAS number
    110-02-1

    Molecular formula
    C4H4S

    SMILES
    C1=CSC=C1
    S

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1832.0

  • Odor profile

    sulfurous 82.5%
    pungent 61.57%
    alliaceous 61.15%
    garlic 58.98%
    burnt 56.6%
    onion 46.11%
    meaty 42.36%
    coffee 40.82%
    roasted 40.02%
    savory 35.32%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8 Well soluble in IAA, DEP, MMB

    Molecular weight
    84.14 g/mol

    Vapor pressure est.

    • 86.2859 hPa @ 20°C
    • 109.1118 hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    85°C

    Melting point expt.

    • -36.8 °F (NTP, 1992)
    • -39.4 °C
    • -38.3 °C
    • -38 °C

    Boiling point expt.

    • 183.9 °F at 760 mmHg (NTP, 1992)
    • 84.0 °C @ 760 MM HG
    • 84.00 °C. @ 760.00 mm Hg
    • 84 °C

    Flash point expt.

    • 30 °F (NTP, 1992)
    • 30 °F (-1 °C) (CLOSED CUP)
    • -1 °C

    Solubility expt.

    • less than 1 mg/mL at 75 °F (NTP, 1992)
    • MISCIBLE IN ETHANOL, ETHER, ACETONE, AND BENZENE.
    • SOL IN ALL PROPORTIONS IN ORDINARY ORG SOLVENTS, CARBON TETRACHLORIDE, DIOXANE, PYRIMIDINE, TOLUENE
    • water solubility = 3,020 mg/l @ 25 °C
    • 3.01 mg/mL at 25 °C
    • Solubility in water: none

  • Synonyms

    • THIOPHENE
    • 110-02-1
    • Thiofuran
    • Thiole
    • Thiophen
    • Thiacyclopentadiene
    • Thiotetrole
    • Thiofurfuran
    • Divinylene sulfide
    • Thiaphene
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction

Botanical

Name CAS Botanical Proportion
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.63%