1-(2-Thienyl)ethanethiol

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  • Identifiers

    CAS number
    94089-02-8

    Molecular formula
    C6H8S2

    SMILES
    CC(C1=CC=CS1)S

  • Odor profile

    Meaty 74.06%
    Sulfurous 72.56%
    Roasted 67.0%
    Coffee 57.43%
    Burnt 54.56%
    Savory 45.87%
    Beefy 43.2%
    Onion 40.85%
    Cooked 36.31%
    Garlic 36.28%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    144.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    210°C

    Flash point est.
    60.99 ˚C

    Solubility expt.

    • Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 1-(2-thienyl)ethanethiol
    • 94089-02-8
    • 1-(thiophen-2-yl)ethane-1-thiol
    • 1-(2'-Thienyl)ethylmercaptan
    • 1-thiophen-2-ylethanethiol
    • LFK7P06Z9U
    • 2-(1-mercaptoethyl)thiophene
    • EINECS 302-104-4
    • 2-Thiophenemethanethiol, .alpha.-methyl-
    • 1-(thiophen-2-yl)ethanethiol
    • FEMA NO. 4646
    • 1-(THIEN-2-YL)ETHANETHIOL
    • UNII-LFK7P06Z9U
    • 1-(2-thienyl)ethylmercaptan
    • alpha-Methylthiophene-2-methanethiol
    • 2-Thiophenemethanethiol, alpha-methyl-
    • 1-Thiophen-2-ylethanethio
    • SCHEMBL2967778
    • DTXSID90869183
    • UDA08902
    • AKOS009157666
    • DB-290616
    • NS00064318
    • EN300-82397
    • Q27282962

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 210.4
    methanol 209.75
    isopropanol 126.37
    water 0.64
    ethyl acetate 219.96
    n-propanol 153.52
    acetone 334.01
    n-butanol 168.96
    acetonitrile 143.44
    DMF 295.38
    toluene 169.06
    isobutanol 109.27
    1,4-dioxane 562.92
    methyl acetate 193.52
    THF 709.49
    2-butanone 242.99
    n-pentanol 146.07
    sec-butanol 112.79
    n-hexane 29.46
    ethylene glycol 43.81
    NMP 349.53
    cyclohexane 51.24
    DMSO 337.54
    n-butyl acetate 261.14
    n-octanol 93.5
    chloroform 418.59
    n-propyl acetate 171.91
    acetic acid 163.89
    dichloromethane 361.55
    cyclohexanone 407.43
    propylene glycol 43.66
    isopropyl acetate 150.48
    DMAc 230.45
    2-ethoxyethanol 222.79
    isopentanol 140.26
    n-heptane 51.88
    ethyl formate 134.93
    1,2-dichloroethane 245.43
    n-hexanol 201.95
    2-methoxyethanol 292.8
    isobutyl acetate 133.86
    tetrachloromethane 100.81
    n-pentyl acetate 140.59
    transcutol 692.99
    n-heptanol 97.0
    ethylbenzene 68.91
    MIBK 178.82
    2-propoxyethanol 328.17
    tert-butanol 163.75
    MTBE 187.77
    2-butoxyethanol 179.78
    propionic acid 103.07
    o-xylene 88.85
    formic acid 55.15
    diethyl ether 291.46
    m-xylene 109.83
    p-xylene 85.0
    chlorobenzene 199.79
    dimethyl carbonate 86.18
    n-octane 17.86
    formamide 83.47
    cyclopentanone 418.05
    2-pentanone 245.87
    anisole 186.34
    cyclopentyl methyl ether 291.66
    gamma-butyrolactone 342.42
    1-methoxy-2-propanol 226.63
    pyridine 339.76
    3-pentanone 172.48
    furfural 361.25
    n-dodecane 14.82
    diethylene glycol 219.37
    diisopropyl ether 101.39
    tert-amyl alcohol 129.68
    acetylacetone 285.34
    n-hexadecane 17.09
    acetophenone 165.71
    methyl propionate 147.44
    isopentyl acetate 203.91
    trichloroethylene 416.64
    n-nonanol 90.45
    cyclohexanol 153.18
    benzyl alcohol 141.85
    2-ethylhexanol 136.08
    isooctanol 83.27
    dipropyl ether 213.13
    1,2-dichlorobenzene 163.49
    ethyl lactate 74.99
    propylene carbonate 189.95
    n-methylformamide 127.15
    2-pentanol 115.07
    n-pentane 36.17
    1-propoxy-2-propanol 238.7
    1-methoxy-2-propyl acetate 238.11
    2-(2-methoxypropoxy) propanol 201.62
    mesitylene 79.71
    ε-caprolactone 282.87
    p-cymene 75.43
    epichlorohydrin 392.27
    1,1,1-trichloroethane 259.29
    2-aminoethanol 74.64
    morpholine-4-carbaldehyde 442.83
    sulfolane 371.57
    2,2,4-trimethylpentane 19.95
    2-methyltetrahydrofuran 426.56
    n-hexyl acetate 169.89
    isooctane 22.13
    2-(2-butoxyethoxy)ethanol 265.35
    sec-butyl acetate 121.89
    tert-butyl acetate 190.94
    decalin 29.58
    glycerin 78.34
    diglyme 444.5
    acrylic acid 95.66
    isopropyl myristate 94.3
    n-butyric acid 168.71
    acetyl acetate 156.1
    di(2-ethylhexyl) phthalate 88.03
    ethyl propionate 122.11
    nitromethane 239.22
    1,2-diethoxyethane 318.26
    benzonitrile 183.85
    trioctyl phosphate 62.9
    1-bromopropane 170.44
    gamma-valerolactone 500.32
    n-decanol 73.13
    triethyl phosphate 83.41
    4-methyl-2-pentanol 85.92
    propionitrile 124.69
    vinylene carbonate 182.81
    1,1,2-trichlorotrifluoroethane 243.56
    DMS 136.24
    cumene 57.02
    2-octanol 66.14
    2-hexanone 203.75
    octyl acetate 107.34
    limonene 117.11
    1,2-dimethoxyethane 375.12
    ethyl orthosilicate 86.59
    tributyl phosphate 77.14
    diacetone alcohol 191.25
    N,N-dimethylaniline 121.38
    acrylonitrile 129.88
    aniline 169.11
    1,3-propanediol 129.65
    bromobenzene 212.34
    dibromomethane 259.02
    1,1,2,2-tetrachloroethane 290.82
    2-methyl-cyclohexyl acetate 143.95
    tetrabutyl urea 100.27
    diisobutyl methanol 92.49
    2-phenylethanol 178.51
    styrene 98.35
    dioctyl adipate 117.66
    dimethyl sulfate 123.33
    ethyl butyrate 162.71
    methyl lactate 82.14
    butyl lactate 100.7
    diethyl carbonate 98.48
    propanediol butyl ether 130.09
    triethyl orthoformate 125.28
    p-tert-butyltoluene 77.92
    methyl 4-tert-butylbenzoate 143.0
    morpholine 476.77
    tert-butylamine 108.67
    n-dodecanol 61.09
    dimethoxymethane 300.56
    ethylene carbonate 163.43
    cyrene 201.54
    2-ethoxyethyl acetate 209.46
    2-ethylhexyl acetate 172.97
    1,2,4-trichlorobenzene 196.41
    4-methylpyridine 302.01
    dibutyl ether 141.7
    2,6-dimethyl-4-heptanol 92.49
    DEF 216.64
    dimethyl isosorbide 327.88
    tetrachloroethylene 214.15
    eugenol 161.68
    triacetin 163.69
    span 80 171.25
    1,4-butanediol 65.83
    1,1-dichloroethane 246.44
    2-methyl-1-pentanol 129.45
    methyl formate 110.09
    2-methyl-1-butanol 121.69
    n-decane 23.43
    butyronitrile 163.77
    3,7-dimethyl-1-octanol 100.84
    1-chlorooctane 76.18
    1-chlorotetradecane 39.05
    n-nonane 22.28
    undecane 17.93
    tert-butylcyclohexane 28.87
    cyclooctane 23.77
    cyclopentanol 154.47
    tetrahydropyran 444.52
    tert-amyl methyl ether 142.2
    2,5,8-trioxanonane 350.15
    1-hexene 90.84
    2-isopropoxyethanol 183.5
    2,2,2-trifluoroethanol 66.84
    methyl butyrate 157.26

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction