3-Sulfanylbutan-1-ol

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  • Identifiers

    CAS number
    31030-39-4

    Molecular formula
    C4H10OS

    SMILES
    CC(CCO)S

    Safety labels

  • Odor profile

    Fragrance
    Meaty 80.35%
    Sulfurous 79.13%
    Roasted 59.8%
    Onion 58.67%
    Savory 53.92%
    Alliaceous 39.87%
    Grapefruit 39.22%
    Cooked 38.69%
    Garlic 38.58%
    Beefy 37.53%

     

    Flavor
    Sulfurous 59.28%
    Onion 46.51%
    Meaty 37.46%
    Sulfury 33.29%
    Vegetable 31.56%
    Roasted 30.11%
    Fishy 28.96%
    Sweet 26.7%
    Odorless 25.85%
    Soup 23.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.63 (weak base)

    Molecular weight
    106.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    182°C

    Flash point

    • 67.1 ˚C est.

  • Synonyms

    • 3-sulfanylbutan-1-ol
    • 3-Mercapto-1-Butanol
    • 31030-39-4
    • 3-mercaptobutanol
    • 3-mercaptobutan-1-ol
    • SCHEMBL1171599
    • SCHEMBL2150547
    • SCHEMBL8468536
    • SCHEMBL8850476
    • SCHEMBL9244990
    • SCHEMBL11704734
    • DTXSID501376873
    • GBA03039
    • AKOS025296040
    • EN300-88355
    • 31030-39-4

  • Applications

    3-Sulfanylbutan-1-ol (CAS 31030-39-4) is a thiol-functionalized alkanol that serves as a versatile intermediate in chemical synthesis and as an odor-active component in fragrance and flavor formulations. In perfumery and cosmetics, it can contribute fresh sulfurous notes and is used as a building block for more complex sulfur-containing aroma compounds. In the flavor sector, it may act as a precursor or component for controlled aroma profiles. In industrial manufacturing, it is used as a reactive intermediate enabling thiol-ene chemistries and thioether linkages to form sulfur-containing polymers and coatings, inks, and adhesives. It may also be used as a starting material for synthesizing specialty intermediates or functionalized derivatives for specific applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 463.3
    methanol 729.06
    isopropanol 219.35
    water 61.74
    ethyl acetate 56.85
    n-propanol 273.87
    acetone 139.84
    n-butanol 214.22
    acetonitrile 64.17
    DMF 182.9
    toluene 6.36
    isobutanol 144.45
    1,4-dioxane 183.35
    methyl acetate 69.46
    THF 309.82
    2-butanone 83.9
    n-pentanol 99.3
    sec-butanol 151.56
    n-hexane 4.32
    ethylene glycol 288.8
    NMP 213.06
    cyclohexane 6.73
    DMSO 283.93
    n-butyl acetate 82.55
    n-octanol 72.2
    chloroform 55.97
    n-propyl acetate 50.08
    acetic acid 654.61
    dichloromethane 37.6
    cyclohexanone 150.8
    propylene glycol 262.07
    isopropyl acetate 34.75
    DMAc 115.88
    2-ethoxyethanol 205.64
    isopentanol 121.67
    n-heptane 10.2
    ethyl formate 66.66
    1,2-dichloroethane 25.62
    n-hexanol 173.43
    2-methoxyethanol 404.02
    isobutyl acetate 38.5
    tetrachloromethane 19.67
    n-pentyl acetate 51.06
    transcutol 448.92
    n-heptanol 84.43
    ethylbenzene 4.78
    MIBK 42.65
    2-propoxyethanol 276.89
    tert-butanol 204.68
    MTBE 53.75
    2-butoxyethanol 156.69
    propionic acid 237.72
    o-xylene 8.8
    formic acid 457.53
    diethyl ether 43.66
    m-xylene 9.15
    p-xylene 8.11
    chlorobenzene 18.44
    dimethyl carbonate 18.72
    n-octane 3.37
    formamide 280.96
    cyclopentanone 196.37
    2-pentanone 67.23
    anisole 28.32
    cyclopentyl methyl ether 84.97
    gamma-butyrolactone 210.99
    1-methoxy-2-propanol 216.89
    pyridine 62.98
    3-pentanone 37.44
    furfural 182.77
    n-dodecane 3.03
    diethylene glycol 309.36
    diisopropyl ether 13.74
    tert-amyl alcohol 139.19
    acetylacetone 77.13
    n-hexadecane 3.2
    acetophenone 36.76
    methyl propionate 44.17
    isopentyl acetate 64.44
    trichloroethylene 65.7
    n-nonanol 61.04
    cyclohexanol 127.2
    benzyl alcohol 46.66
    2-ethylhexanol 76.79
    isooctanol 59.82
    dipropyl ether 49.77
    1,2-dichlorobenzene 20.52
    ethyl lactate 48.6
    propylene carbonate 100.31
    n-methylformamide 159.66
    2-pentanol 94.76
    n-pentane 5.29
    1-propoxy-2-propanol 195.85
    1-methoxy-2-propyl acetate 83.24
    2-(2-methoxypropoxy) propanol 134.53
    mesitylene 7.9
    ε-caprolactone 123.5
    p-cymene 14.16
    epichlorohydrin 123.51
    1,1,1-trichloroethane 30.17
    2-aminoethanol 368.66
    morpholine-4-carbaldehyde 216.93
    sulfolane 244.99
    2,2,4-trimethylpentane 4.21
    2-methyltetrahydrofuran 168.27
    n-hexyl acetate 73.46
    isooctane 3.8
    2-(2-butoxyethoxy)ethanol 195.17
    sec-butyl acetate 29.29
    tert-butyl acetate 48.22
    decalin 3.32
    glycerin 386.04
    diglyme 245.26
    acrylic acid 229.02
    isopropyl myristate 29.39
    n-butyric acid 212.25
    acetyl acetate 43.95
    di(2-ethylhexyl) phthalate 46.58
    ethyl propionate 29.76
    nitromethane 303.07
    1,2-diethoxyethane 77.86
    benzonitrile 39.01
    trioctyl phosphate 36.13
    1-bromopropane 14.07
    gamma-valerolactone 238.6
    n-decanol 44.02
    triethyl phosphate 28.73
    4-methyl-2-pentanol 48.75
    propionitrile 47.04
    vinylene carbonate 77.97
    1,1,2-trichlorotrifluoroethane 188.13
    DMS 41.21
    cumene 6.91
    2-octanol 45.44
    2-hexanone 57.66
    octyl acetate 43.44
    limonene 24.72
    1,2-dimethoxyethane 155.02
    ethyl orthosilicate 28.98
    tributyl phosphate 38.49
    diacetone alcohol 113.33
    N,N-dimethylaniline 22.39
    acrylonitrile 60.63
    aniline 38.91
    1,3-propanediol 382.15
    bromobenzene 10.63
    dibromomethane 24.38
    1,1,2,2-tetrachloroethane 58.81
    2-methyl-cyclohexyl acetate 55.66
    tetrabutyl urea 49.9
    diisobutyl methanol 36.86
    2-phenylethanol 71.5
    styrene 5.71
    dioctyl adipate 53.21
    dimethyl sulfate 38.84
    ethyl butyrate 50.42
    methyl lactate 63.04
    butyl lactate 70.97
    diethyl carbonate 29.46
    propanediol butyl ether 165.2
    triethyl orthoformate 42.78
    p-tert-butyltoluene 15.14
    methyl 4-tert-butylbenzoate 66.77
    morpholine 243.25
    tert-butylamine 87.3
    n-dodecanol 33.44
    dimethoxymethane 75.57
    ethylene carbonate 64.12
    cyrene 113.56
    2-ethoxyethyl acetate 69.26
    2-ethylhexyl acetate 47.67
    1,2,4-trichlorobenzene 31.48
    4-methylpyridine 42.49
    dibutyl ether 33.2
    2,6-dimethyl-4-heptanol 36.86
    DEF 68.12
    dimethyl isosorbide 170.93
    tetrachloroethylene 55.26
    eugenol 87.95
    triacetin 81.3
    span 80 152.44
    1,4-butanediol 147.74
    1,1-dichloroethane 22.31
    2-methyl-1-pentanol 72.29
    methyl formate 97.27
    2-methyl-1-butanol 117.79
    n-decane 4.79
    butyronitrile 49.54
    3,7-dimethyl-1-octanol 58.84
    1-chlorooctane 18.85
    1-chlorotetradecane 8.55
    n-nonane 4.47
    undecane 3.67
    tert-butylcyclohexane 4.41
    cyclooctane 2.42
    cyclopentanol 189.82
    tetrahydropyran 123.86
    tert-amyl methyl ether 42.25
    2,5,8-trioxanonane 200.96
    1-hexene 12.07
    2-isopropoxyethanol 125.27
    2,2,2-trifluoroethanol 189.4
    methyl butyrate 47.95

    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