2,3-Butanedithiol

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  • Identifiers

    CAS number
    4532-64-3

    Molecular formula
    C4H10S2

    SMILES
    CC(C(C)S)S

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 89.86%
    Meaty 87.28%
    Roasted 74.61%
    Onion 61.65%
    Savory 61.58%
    Fatty 53.51%
    Beefy 52.44%
    Burnt 52.22%
    Alliaceous 51.17%
    Garlic 48.68%

     

    Flavor
    Sulfurous 66.1%
    Onion 57.02%
    Meaty 56.32%
    Sulfury 41.21%
    Garlic 31.72%
    Alliaceous 29.13%
    Roasted 26.96%
    Cooked 26.83%
    Fishy 24.64%
    Gassy 24.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.31 (weak base)

    Molecular weight
    122.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 86.00 to 87.00 °C. @ 50.00 mm Hg

    Flash point

    • 39.01 ˚C est.

    Solubility expt.

    • insoluble in water; miscble in fat

  • Synonyms

    • 2,3-Butanedithiol
    • 4532-64-3
    • 2,3-Dimercaptobutane
    • butane-2,3-dithiol
    • FEMA No. 3477
    • EINECS 224-870-8
    • DTXSID5047089
    • UNII-69G298U39K
    • 69G298U39K
    • DTXCID3027089
    • TWWSEEHCVDRRRI-UHFFFAOYSA-
    • 2,3-BUTANEDITHIOL [FHFI]
    • (+/-)-2,3-BUTANEDITHIOL
    • 2,3-BUTANEDITHIOL [USP-RS]
    • 2,3-BUTANEDITHIOL, (+/-)-
    • 2,3-BUTANEDITHIOL (USP-RS)
    • FEMA 3477
    • MFCD00010024
    • SCHEMBL41922
    • 2,3-Butanedithiol, >=97%
    • CHEMBL3187041
    • SCHEMBL26061725
    • CHEBI:179053
    • Tox21_301822
    • 2,3-Butanedithiol, >=99%, FG
    • AKOS015897456
    • NCGC00256199-01
    • LS-13016
    • CAS-4532-64-3
    • DB-003227
    • B2888
    • NS00022204
    • D88972
    • EN300-152876
    • A826776
    • Q27264347
    • 2,3-Butanedithiol, United States Pharmacopeia (USP) Reference Standard

  • Applications

    2,3-Butanedithiol (CAS 4532-64-3) is a pungent dithiol employed as an odorant for leak detection in fuel gases, an intermediate in organic synthesis for constructing sulfur-containing heterocycles and protected mercapto groups, a bidentate ligand for transition-metal catalysts, a linker for gold or silver nanoparticles in biosensing, and an additive that enhances adhesion and hydrophobicity of polymers through sulfur-rich crosslinking.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.71
    methanol 60.1
    isopropanol 48.76
    water 0.94
    ethyl acetate 70.46
    n-propanol 56.48
    acetone 69.82
    n-butanol 57.29
    acetonitrile 51.03
    DMF 73.42
    toluene 35.83
    isobutanol 39.18
    1,4-dioxane 116.24
    methyl acetate 73.88
    THF 174.27
    2-butanone 82.12
    n-pentanol 42.86
    sec-butanol 54.02
    n-hexane 14.61
    ethylene glycol 15.31
    NMP 100.75
    cyclohexane 21.76
    DMSO 71.49
    n-butyl acetate 70.84
    n-octanol 47.17
    chloroform 173.4
    n-propyl acetate 47.24
    acetic acid 66.16
    dichloromethane 103.17
    cyclohexanone 93.95
    propylene glycol 26.6
    isopropyl acetate 49.05
    DMAc 98.95
    2-ethoxyethanol 60.19
    isopentanol 45.01
    n-heptane 24.85
    ethyl formate 40.69
    1,2-dichloroethane 60.52
    n-hexanol 71.87
    2-methoxyethanol 85.97
    isobutyl acetate 33.53
    tetrachloromethane 58.45
    n-pentyl acetate 57.84
    transcutol 178.06
    n-heptanol 55.42
    ethylbenzene 24.59
    MIBK 40.91
    2-propoxyethanol 93.93
    tert-butanol 63.52
    MTBE 61.48
    2-butoxyethanol 78.91
    propionic acid 56.75
    o-xylene 34.6
    formic acid 21.07
    diethyl ether 68.64
    m-xylene 28.18
    p-xylene 34.95
    chlorobenzene 51.87
    dimethyl carbonate 24.58
    n-octane 11.18
    formamide 33.44
    cyclopentanone 126.28
    2-pentanone 61.85
    anisole 52.98
    cyclopentyl methyl ether 76.88
    gamma-butyrolactone 113.33
    1-methoxy-2-propanol 74.5
    pyridine 90.5
    3-pentanone 58.84
    furfural 110.79
    n-dodecane 7.59
    diethylene glycol 61.32
    diisopropyl ether 28.23
    tert-amyl alcohol 64.04
    acetylacetone 67.89
    n-hexadecane 8.24
    acetophenone 54.06
    methyl propionate 54.31
    isopentyl acetate 58.97
    trichloroethylene 130.23
    n-nonanol 46.63
    cyclohexanol 50.7
    benzyl alcohol 42.86
    2-ethylhexanol 53.6
    isooctanol 43.22
    dipropyl ether 66.58
    1,2-dichlorobenzene 52.8
    ethyl lactate 31.55
    propylene carbonate 71.19
    n-methylformamide 40.5
    2-pentanol 45.48
    n-pentane 17.18
    1-propoxy-2-propanol 82.52
    1-methoxy-2-propyl acetate 65.29
    2-(2-methoxypropoxy) propanol 69.79
    mesitylene 20.36
    ε-caprolactone 87.86
    p-cymene 32.12
    epichlorohydrin 98.72
    1,1,1-trichloroethane 98.67
    2-aminoethanol 32.19
    morpholine-4-carbaldehyde 101.99
    sulfolane 125.39
    2,2,4-trimethylpentane 10.58
    2-methyltetrahydrofuran 116.99
    n-hexyl acetate 65.37
    isooctane 6.89
    2-(2-butoxyethoxy)ethanol 90.22
    sec-butyl acetate 39.04
    tert-butyl acetate 58.19
    decalin 12.12
    glycerin 35.75
    diglyme 137.42
    acrylic acid 48.81
    isopropyl myristate 34.27
    n-butyric acid 72.95
    acetyl acetate 54.02
    di(2-ethylhexyl) phthalate 32.52
    ethyl propionate 44.49
    nitromethane 80.12
    1,2-diethoxyethane 83.28
    benzonitrile 47.89
    trioctyl phosphate 25.3
    1-bromopropane 54.01
    gamma-valerolactone 115.73
    n-decanol 35.44
    triethyl phosphate 37.68
    4-methyl-2-pentanol 29.47
    propionitrile 50.74
    vinylene carbonate 60.99
    1,1,2-trichlorotrifluoroethane 96.32
    DMS 43.08
    cumene 22.37
    2-octanol 38.52
    2-hexanone 52.85
    octyl acetate 42.03
    limonene 45.76
    1,2-dimethoxyethane 93.41
    ethyl orthosilicate 40.35
    tributyl phosphate 27.75
    diacetone alcohol 68.02
    N,N-dimethylaniline 41.92
    acrylonitrile 52.49
    aniline 51.66
    1,3-propanediol 45.26
    bromobenzene 49.68
    dibromomethane 79.47
    1,1,2,2-tetrachloroethane 115.78
    2-methyl-cyclohexyl acetate 55.59
    tetrabutyl urea 36.1
    diisobutyl methanol 35.08
    2-phenylethanol 58.82
    styrene 29.14
    dioctyl adipate 44.37
    dimethyl sulfate 39.19
    ethyl butyrate 62.05
    methyl lactate 35.74
    butyl lactate 46.96
    diethyl carbonate 42.68
    propanediol butyl ether 58.24
    triethyl orthoformate 56.15
    p-tert-butyltoluene 33.69
    methyl 4-tert-butylbenzoate 64.84
    morpholine 116.71
    tert-butylamine 45.59
    n-dodecanol 27.49
    dimethoxymethane 54.94
    ethylene carbonate 49.78
    cyrene 62.81
    2-ethoxyethyl acetate 67.21
    2-ethylhexyl acetate 54.84
    1,2,4-trichlorobenzene 68.19
    4-methylpyridine 72.06
    dibutyl ether 53.3
    2,6-dimethyl-4-heptanol 35.08
    DEF 64.2
    dimethyl isosorbide 112.86
    tetrachloroethylene 90.21
    eugenol 61.75
    triacetin 66.16
    span 80 70.31
    1,4-butanediol 20.29
    1,1-dichloroethane 75.52
    2-methyl-1-pentanol 41.28
    methyl formate 31.99
    2-methyl-1-butanol 45.4
    n-decane 13.25
    butyronitrile 49.63
    3,7-dimethyl-1-octanol 42.41
    1-chlorooctane 33.87
    1-chlorotetradecane 15.68
    n-nonane 12.79
    undecane 9.57
    tert-butylcyclohexane 12.71
    cyclooctane 10.14
    cyclopentanol 61.09
    tetrahydropyran 103.57
    tert-amyl methyl ether 55.35
    2,5,8-trioxanonane 104.37
    1-hexene 34.09
    2-isopropoxyethanol 49.18
    2,2,2-trifluoroethanol 34.61
    methyl butyrate 52.57

    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