1,3-Butanedithiol

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  • Identifiers

    CAS number
    24330-52-7

    Molecular formula
    C4H10S2

    SMILES
    CC(CCS)S

  • Odor profile

    Sulfurous 85.45%
    Meaty 83.44%
    Onion 69.26%
    Roasted 67.21%
    Savory 58.62%
    Garlic 58.03%
    Alliaceous 55.74%
    Burnt 50.93%
    Coffee 46.23%
    Beefy 41.95%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.2 (weak base)

    Molecular weight
    122.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    173°C

    Flash point est.
    45.44 ˚C

    Solubility expt.

    • insoluble in water; miscible in fat

  • Synonyms

    • 1,3-Butanedithiol
    • Butane-1,3-dithiol
    • 24330-52-7
    • 1,3-Dimercaptobutane
    • FEMA No. 3529
    • 1,3-butane dithiol
    • UNII-85VJA9KBCH
    • 85VJA9KBCH
    • EINECS 246-172-2
    • (+/-)-1,3-Butanedithiol
    • DTXSID50865146
    • 1,3-BUTANEDITHIOL [FHFI]
    • 1,3-BUTANEDITHIOL, (+/-)-
    • SCHEMBL538537
    • SCHEMBL20049018
    • DTXCID30813589
    • CHEBI:179055
    • DA-07765
    • NS00051155
    • Q27269673

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 923.64
    methanol 971.51
    isopropanol 548.58
    water 2.59
    ethyl acetate 318.29
    n-propanol 621.41
    acetone 648.83
    n-butanol 645.71
    acetonitrile 255.45
    DMF 316.74
    toluene 147.46
    isobutanol 355.77
    1,4-dioxane 689.26
    methyl acetate 258.0
    THF 1452.68
    2-butanone 457.21
    n-pentanol 377.18
    sec-butanol 435.06
    n-hexane 114.35
    ethylene glycol 153.9
    NMP 354.49
    cyclohexane 167.07
    DMSO 437.66
    n-butyl acetate 564.58
    n-octanol 247.61
    chloroform 472.87
    n-propyl acetate 239.35
    acetic acid 499.9
    dichloromethane 351.26
    cyclohexanone 608.39
    propylene glycol 184.44
    isopropyl acetate 203.18
    DMAc 227.14
    2-ethoxyethanol 375.99
    isopentanol 375.75
    n-heptane 212.0
    ethyl formate 207.98
    1,2-dichloroethane 229.37
    n-hexanol 671.68
    2-methoxyethanol 608.38
    isobutyl acetate 173.45
    tetrachloromethane 161.71
    n-pentyl acetate 230.82
    transcutol 955.48
    n-heptanol 283.73
    ethylbenzene 60.3
    MIBK 228.62
    2-propoxyethanol 686.58
    tert-butanol 507.78
    MTBE 388.04
    2-butoxyethanol 375.44
    propionic acid 284.99
    o-xylene 86.0
    formic acid 162.98
    diethyl ether 591.66
    m-xylene 97.48
    p-xylene 81.82
    chlorobenzene 164.59
    dimethyl carbonate 64.61
    n-octane 52.11
    formamide 144.53
    cyclopentanone 632.59
    2-pentanone 445.07
    anisole 142.51
    cyclopentyl methyl ether 507.46
    gamma-butyrolactone 454.61
    1-methoxy-2-propanol 400.23
    pyridine 359.13
    3-pentanone 269.82
    furfural 358.23
    n-dodecane 31.64
    diethylene glycol 439.51
    diisopropyl ether 158.48
    tert-amyl alcohol 372.23
    acetylacetone 287.06
    n-hexadecane 34.39
    acetophenone 126.71
    methyl propionate 189.62
    isopentyl acetate 376.25
    trichloroethylene 360.29
    n-nonanol 206.51
    cyclohexanol 440.09
    benzyl alcohol 134.01
    2-ethylhexanol 368.12
    isooctanol 188.47
    dipropyl ether 483.08
    1,2-dichlorobenzene 118.11
    ethyl lactate 92.91
    propylene carbonate 239.8
    n-methylformamide 205.07
    2-pentanol 371.88
    n-pentane 150.15
    1-propoxy-2-propanol 590.81
    1-methoxy-2-propyl acetate 300.22
    2-(2-methoxypropoxy) propanol 264.41
    mesitylene 65.86
    ε-caprolactone 403.33
    p-cymene 99.58
    epichlorohydrin 425.39
    1,1,1-trichloroethane 255.6
    2-aminoethanol 269.53
    morpholine-4-carbaldehyde 396.85
    sulfolane 422.44
    2,2,4-trimethylpentane 48.74
    2-methyltetrahydrofuran 832.28
    n-hexyl acetate 283.19
    isooctane 42.28
    2-(2-butoxyethoxy)ethanol 390.03
    sec-butyl acetate 147.52
    tert-butyl acetate 223.76
    decalin 44.52
    glycerin 211.38
    diglyme 556.64
    acrylic acid 198.34
    isopropyl myristate 122.99
    n-butyric acid 445.3
    acetyl acetate 181.1
    di(2-ethylhexyl) phthalate 113.96
    ethyl propionate 146.08
    nitromethane 354.59
    1,2-diethoxyethane 457.97
    benzonitrile 157.73
    trioctyl phosphate 98.52
    1-bromopropane 285.85
    gamma-valerolactone 585.44
    n-decanol 152.46
    triethyl phosphate 99.2
    4-methyl-2-pentanol 175.13
    propionitrile 229.68
    vinylene carbonate 184.02
    1,1,2-trichlorotrifluoroethane 287.97
    DMS 123.75
    cumene 49.99
    2-octanol 167.6
    2-hexanone 328.41
    octyl acetate 160.91
    limonene 201.2
    1,2-dimethoxyethane 509.42
    ethyl orthosilicate 112.86
    tributyl phosphate 113.15
    diacetone alcohol 263.19
    N,N-dimethylaniline 95.79
    acrylonitrile 183.48
    aniline 191.31
    1,3-propanediol 375.26
    bromobenzene 143.76
    dibromomethane 319.47
    1,1,2,2-tetrachloroethane 291.32
    2-methyl-cyclohexyl acetate 200.31
    tetrabutyl urea 141.09
    diisobutyl methanol 185.78
    2-phenylethanol 232.49
    styrene 78.15
    dioctyl adipate 160.02
    dimethyl sulfate 77.29
    ethyl butyrate 267.12
    methyl lactate 107.6
    butyl lactate 175.92
    diethyl carbonate 134.45
    propanediol butyl ether 296.18
    triethyl orthoformate 200.84
    p-tert-butyltoluene 100.95
    methyl 4-tert-butylbenzoate 154.6
    morpholine 773.08
    tert-butylamine 340.5
    n-dodecanol 117.63
    dimethoxymethane 314.33
    ethylene carbonate 176.39
    cyrene 195.65
    2-ethoxyethyl acetate 255.44
    2-ethylhexyl acetate 317.16
    1,2,4-trichlorobenzene 149.66
    4-methylpyridine 296.67
    dibutyl ether 285.78
    2,6-dimethyl-4-heptanol 185.78
    DEF 275.84
    dimethyl isosorbide 381.92
    tetrachloroethylene 243.98
    eugenol 165.78
    triacetin 194.85
    span 80 295.81
    1,4-butanediol 155.23
    1,1-dichloroethane 286.99
    2-methyl-1-pentanol 254.22
    methyl formate 141.99
    2-methyl-1-butanol 356.97
    n-decane 57.8
    butyronitrile 347.96
    3,7-dimethyl-1-octanol 206.77
    1-chlorooctane 139.9
    1-chlorotetradecane 59.73
    n-nonane 61.75
    undecane 40.33
    tert-butylcyclohexane 47.78
    cyclooctane 59.55
    cyclopentanol 478.73
    tetrahydropyran 911.28
    tert-amyl methyl ether 274.04
    2,5,8-trioxanonane 409.66
    1-hexene 253.14
    2-isopropoxyethanol 273.93
    2,2,2-trifluoroethanol 116.83
    methyl butyrate 204.35

    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