2-(Butylthio)ethanol

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  • Identifiers

    CAS number
    5331-37-3

    Molecular formula
    C6H14OS

    SMILES
    CCCCSCCO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 77.53%
    Vegetable 60.26%
    Green 58.23%
    Meaty 57.93%
    Onion 57.0%
    Alliaceous 51.69%
    Savory 50.89%
    Garlic 47.83%
    Tropical 44.17%
    Roasted 38.25%

     

    Flavor
    Sulfurous 65.58%
    Green 51.47%
    Onion 50.49%
    Sulfury 43.3%
    Vegetable 41.58%
    Garlic 39.3%
    Meaty 36.94%
    Fatty 35.63%
    Burnt 35.58%
    Metallic 32.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.71 (neutral)

    Molecular weight
    134.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point

    • 89.22 ˚C est.

  • Synonyms

    • 2-(Butylthio)ethanol
    • 5331-37-3
    • EINECS 226-229-8
    • 2-Hydroxyethyl butyl sulfide
    • DTXSID40201458
    • NSC 2279
    • RefChem:460097
    • DTXCID40123949
    • 226-229-8
    • 2-(n-Butylthio)ethanol
    • 2-butylsulfanylethanol
    • Ethanol, 2-(butylthio)-
    • MFCD00014042
    • 2-(Butylsulfanyl)ethanol
    • 2-(butylsulfanyl)ethan-1-ol
    • NSC-2279
    • 2-butylthioethan-1-ol
    • 2-(Butylthio)-ethanol
    • Butyl 2-Hydroxyethyl Sulfide
    • NSC2279
    • 3-Thiaheptanol-1
    • 2-(n-butylthio) ethanol
    • TYK6V68AZZ
    • 2-(Butylthio)ethan-1-ol
    • 2-(Butylsulfanyl)ethanol #
    • 2-Hydroxyethyl n-butyl sulfide
    • n-Butyl 2-hydroxyethyl sulfide
    • SCHEMBL2426098
    • SCHEMBL4398835
    • 2-(BUTYLSULFANYL)-1-ETHANOL
    • SBB013616
    • STK675274
    • AKOS005593648
    • SY053662
    • DB-052293
    • ST4045607
    • B0917
    • CS-0313179
    • NS00032711
    • T71016
    • InChI=1/C6H14OS/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H
    • 5331-37-3

  • Applications

    2-(Butylthio)ethanol (CAS 5331-37-3) is an organic synthesis intermediate used to introduce a butylthio group into a molecule and to serve as a precursor for sulfur-containing compounds. It is also employed as a solvent or co-solvent in certain industrial production processes. As a building block for sulfur-containing polymers and plastics, it can act as an ingredient or precursor in coating, ink, and adhesive formulations. Additionally, it may be evaluated as a precursor for specialty products in personal care or other industrial applications, depending on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9686.09
    methanol 11302.04
    isopropanol 6659.76
    water 3.04
    ethyl acetate 2294.89
    n-propanol 7098.57
    acetone 8291.3
    n-butanol 6178.6
    acetonitrile 2496.51
    DMF 5019.61
    toluene 701.14
    isobutanol 4285.66
    1,4-dioxane 4201.61
    methyl acetate 1906.78
    THF 8930.13
    2-butanone 3613.34
    n-pentanol 2623.32
    sec-butanol 3702.56
    n-hexane 253.47
    ethylene glycol 1675.05
    NMP 3335.86
    cyclohexane 646.88
    DMSO 14944.19
    n-butyl acetate 2665.89
    n-octanol 775.49
    chloroform 2515.65
    n-propyl acetate 1749.75
    acetic acid 4985.75
    dichloromethane 2370.67
    cyclohexanone 6618.14
    propylene glycol 2234.26
    isopropyl acetate 1165.2
    DMAc 1448.37
    2-ethoxyethanol 2855.9
    isopentanol 3577.76
    n-heptane 356.57
    ethyl formate 2031.82
    1,2-dichloroethane 2143.29
    n-hexanol 3181.19
    2-methoxyethanol 6797.31
    isobutyl acetate 806.46
    tetrachloromethane 674.24
    n-pentyl acetate 991.04
    transcutol 5611.21
    n-heptanol 924.87
    ethylbenzene 292.57
    MIBK 1310.09
    2-propoxyethanol 3525.51
    tert-butanol 5667.53
    MTBE 1807.09
    2-butoxyethanol 1489.59
    propionic acid 3784.29
    o-xylene 389.38
    formic acid 1572.94
    diethyl ether 1962.93
    m-xylene 493.37
    p-xylene 387.41
    chlorobenzene 997.15
    dimethyl carbonate 428.4
    n-octane 81.0
    formamide 2372.73
    cyclopentanone 7565.02
    2-pentanone 3496.02
    anisole 670.89
    cyclopentyl methyl ether 3518.34
    gamma-butyrolactone 5703.85
    1-methoxy-2-propanol 3960.39
    pyridine 3158.66
    3-pentanone 1639.63
    furfural 3461.37
    n-dodecane 39.92
    diethylene glycol 2193.17
    diisopropyl ether 471.21
    tert-amyl alcohol 2789.12
    acetylacetone 2454.92
    n-hexadecane 46.3
    acetophenone 708.24
    methyl propionate 1657.91
    isopentyl acetate 1781.8
    trichloroethylene 3615.81
    n-nonanol 588.19
    cyclohexanol 4422.66
    benzyl alcohol 913.8
    2-ethylhexanol 1411.37
    isooctanol 638.26
    dipropyl ether 1716.85
    1,2-dichlorobenzene 783.91
    ethyl lactate 557.56
    propylene carbonate 2098.31
    n-methylformamide 4192.91
    2-pentanol 2733.62
    n-pentane 260.87
    1-propoxy-2-propanol 2800.19
    1-methoxy-2-propyl acetate 1388.25
    2-(2-methoxypropoxy) propanol 746.12
    mesitylene 293.9
    ε-caprolactone 3804.35
    p-cymene 329.18
    epichlorohydrin 4409.8
    1,1,1-trichloroethane 1846.91
    2-aminoethanol 3643.12
    morpholine-4-carbaldehyde 3137.24
    sulfolane 6594.57
    2,2,4-trimethylpentane 97.75
    2-methyltetrahydrofuran 5907.05
    n-hexyl acetate 1183.0
    isooctane 90.69
    2-(2-butoxyethoxy)ethanol 1348.83
    sec-butyl acetate 733.6
    tert-butyl acetate 1255.57
    decalin 140.17
    glycerin 2027.59
    diglyme 2718.96
    acrylic acid 2426.71
    isopropyl myristate 328.5
    n-butyric acid 5968.74
    acetyl acetate 945.81
    di(2-ethylhexyl) phthalate 302.73
    ethyl propionate 964.6
    nitromethane 5709.42
    1,2-diethoxyethane 1810.82
    benzonitrile 1327.58
    trioctyl phosphate 283.32
    1-bromopropane 1228.49
    gamma-valerolactone 6733.55
    n-decanol 393.41
    triethyl phosphate 371.27
    4-methyl-2-pentanol 965.29
    propionitrile 2290.07
    vinylene carbonate 1673.42
    1,1,2-trichlorotrifluoroethane 2753.77
    DMS 548.97
    cumene 196.47
    2-octanol 561.59
    2-hexanone 1923.18
    octyl acetate 440.32
    limonene 742.8
    1,2-dimethoxyethane 3642.95
    ethyl orthosilicate 406.97
    tributyl phosphate 373.39
    diacetone alcohol 2083.11
    N,N-dimethylaniline 377.2
    acrylonitrile 2607.5
    aniline 1500.05
    1,3-propanediol 4947.67
    bromobenzene 866.9
    dibromomethane 1736.52
    1,1,2,2-tetrachloroethane 2918.64
    2-methyl-cyclohexyl acetate 761.18
    tetrabutyl urea 489.72
    diisobutyl methanol 685.09
    2-phenylethanol 1002.33
    styrene 414.58
    dioctyl adipate 519.93
    dimethyl sulfate 729.61
    ethyl butyrate 1317.76
    methyl lactate 807.57
    butyl lactate 837.39
    diethyl carbonate 587.14
    propanediol butyl ether 1304.25
    triethyl orthoformate 806.02
    p-tert-butyltoluene 316.23
    methyl 4-tert-butylbenzoate 543.44
    morpholine 6585.71
    tert-butylamine 2769.51
    n-dodecanol 276.18
    dimethoxymethane 2224.88
    ethylene carbonate 1610.46
    cyrene 678.54
    2-ethoxyethyl acetate 1092.23
    2-ethylhexyl acetate 1256.6
    1,2,4-trichlorobenzene 876.28
    4-methylpyridine 2535.2
    dibutyl ether 969.87
    2,6-dimethyl-4-heptanol 685.09
    DEF 2517.14
    dimethyl isosorbide 1261.1
    tetrachloroethylene 2276.5
    eugenol 595.37
    triacetin 696.34
    span 80 925.03
    1,4-butanediol 1443.23
    1,1-dichloroethane 2033.71
    2-methyl-1-pentanol 1480.46
    methyl formate 2172.9
    2-methyl-1-butanol 3062.35
    n-decane 83.08
    butyronitrile 3231.57
    3,7-dimethyl-1-octanol 719.22
    1-chlorooctane 375.61
    1-chlorotetradecane 110.42
    n-nonane 95.47
    undecane 54.02
    tert-butylcyclohexane 128.33
    cyclooctane 157.62
    cyclopentanol 5458.91
    tetrahydropyran 6284.88
    tert-amyl methyl ether 1090.41
    2,5,8-trioxanonane 1367.89
    1-hexene 854.65
    2-isopropoxyethanol 1480.42
    2,2,2-trifluoroethanol 920.32
    methyl butyrate 1775.66

    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