Butyl propyl disulfide

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  • Identifiers

    CAS number
    72437-64-0

    Molecular formula
    C7H16S2

    SMILES
    CCCCSSCCC

  • Odor profile

    Sulfurous 83.66%
    Onion 78.94%
    Alliaceous 78.61%
    Green 77.34%
    Garlic 72.34%
    Vegetable 66.96%
    Savory 56.85%
    Meaty 47.58%
    Cooked 46.31%
    Roasted 39.16%

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  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    164.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 208.00 to 210.00 °C. @ 760.00 mm Hg

    Flash point est.
    83.31 ˚C

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Butyl propyl disulfide
    • 4,5-Dithianonane
    • Disulfide, butyl propyl
    • 1-(Propyldisulfanyl)butane
    • 72437-64-0
    • Propyl n-butyl disulfide
    • UNII-SO4Z6HE5LA
    • SO4Z6HE5LA
    • n-Propyl n-butyl disulphide
    • FEMA No. 4577, butyl propyl-
    • propyl butyl disulfide
    • DTXSID90222734
    • 1-propyldisulfanylbutane
    • propylbutyl disulfide
    • Butyl propyl disulphide
    • 1-(propyldisulanyl)butane
    • 1-(Propyldisulphanyl)butane
    • 1-(Propyldisulfanyl)butane #
    • SCHEMBL3375811
    • DTXCID20145225
    • CHEBI:173726
    • Q27289310

  • Applications

    Butyl propyl disulfide (CAS 72437-64-0) is used primarily as a flavor ingredient delivering onion–garlic, cooked-vegetable, roasted/meaty and savory/umami notes at trace levels, enhancing depth and authenticity in seasonings, soups, sauces, snacks, canned goods and plant-based meat analogs; it also serves as an aroma/analytical reference standard in GC–MS/GC–O for identifying and quantifying volatile sulfur compounds in foods, beverages, essential oils and sensory research; in synthesis and R&D it functions as a disulfide source for disulfide exchange or as a precursor to thiols, a model to probe oxidative stability and radical kinetics, and is sometimes explored as a transient sulfur-donor additive in lubricants/polymer systems; note its very low odor threshold and high potency warrant ppm-or-lower use with compliance to flavor regulations and general organosulfur safety practices.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2718.08
    methanol 1409.59
    isopropanol 2720.57
    water 0.04
    ethyl acetate 6817.86
    n-propanol 2821.44
    acetone 11298.01
    n-butanol 3124.15
    acetonitrile 4300.69
    DMF 6225.07
    toluene 6487.79
    isobutanol 2381.75
    1,4-dioxane 11503.45
    methyl acetate 4869.13
    THF 18821.1
    2-butanone 7658.65
    n-pentanol 1849.97
    sec-butanol 2697.43
    n-hexane 2252.71
    ethylene glycol 208.83
    NMP 5689.48
    cyclohexane 7613.56
    DMSO 8373.97
    n-butyl acetate 9519.97
    n-octanol 1747.46
    chloroform 11777.11
    n-propyl acetate 4012.07
    acetic acid 2080.42
    dichloromethane 11129.84
    cyclohexanone 16312.42
    propylene glycol 514.63
    isopropyl acetate 4203.88
    DMAc 3796.87
    2-ethoxyethanol 1978.33
    isopentanol 2690.98
    n-heptane 4040.66
    ethyl formate 2975.98
    1,2-dichloroethane 8511.13
    n-hexanol 3742.52
    2-methoxyethanol 3245.0
    isobutyl acetate 2277.07
    tetrachloromethane 2848.26
    n-pentyl acetate 3533.24
    transcutol 7530.64
    n-heptanol 1514.46
    ethylbenzene 2173.69
    MIBK 3642.89
    2-propoxyethanol 3958.13
    tert-butanol 3969.45
    MTBE 5729.86
    2-butoxyethanol 2013.42
    propionic acid 2013.41
    o-xylene 2722.57
    formic acid 174.64
    diethyl ether 7959.58
    m-xylene 3156.02
    p-xylene 2660.52
    chlorobenzene 5608.49
    dimethyl carbonate 1217.11
    n-octane 1016.14
    formamide 420.79
    cyclopentanone 14242.86
    2-pentanone 7567.08
    anisole 3004.84
    cyclopentyl methyl ether 10112.48
    gamma-butyrolactone 9319.85
    1-methoxy-2-propanol 2927.24
    pyridine 11104.92
    3-pentanone 5525.57
    furfural 6451.48
    n-dodecane 423.78
    diethylene glycol 1413.76
    diisopropyl ether 2810.08
    tert-amyl alcohol 2945.67
    acetylacetone 6597.58
    n-hexadecane 524.46
    acetophenone 2651.1
    methyl propionate 3955.77
    isopentyl acetate 5863.04
    trichloroethylene 12927.39
    n-nonanol 1466.64
    cyclohexanol 5421.76
    benzyl alcohol 1743.14
    2-ethylhexanol 3116.65
    isooctanol 1272.64
    dipropyl ether 8654.17
    1,2-dichlorobenzene 3965.6
    ethyl lactate 912.68
    propylene carbonate 4756.47
    n-methylformamide 1967.44
    2-pentanol 2603.9
    n-pentane 1946.67
    1-propoxy-2-propanol 4241.56
    1-methoxy-2-propyl acetate 4516.27
    2-(2-methoxypropoxy) propanol 1442.24
    mesitylene 2036.45
    ε-caprolactone 8645.22
    p-cymene 1976.89
    epichlorohydrin 8986.12
    1,1,1-trichloroethane 9730.07
    2-aminoethanol 598.98
    morpholine-4-carbaldehyde 5926.23
    sulfolane 9844.92
    2,2,4-trimethylpentane 654.0
    2-methyltetrahydrofuran 13983.99
    n-hexyl acetate 4035.61
    isooctane 614.09
    2-(2-butoxyethoxy)ethanol 2328.54
    sec-butyl acetate 2535.23
    tert-butyl acetate 4485.26
    decalin 1380.07
    glycerin 537.65
    diglyme 5612.67
    acrylic acid 1354.45
    isopropyl myristate 1566.6
    n-butyric acid 4450.91
    acetyl acetate 3274.13
    di(2-ethylhexyl) phthalate 859.64
    ethyl propionate 3155.28
    nitromethane 4295.39
    1,2-diethoxyethane 6979.17
    benzonitrile 4009.11
    trioctyl phosphate 788.06
    1-bromopropane 7592.69
    gamma-valerolactone 11768.9
    n-decanol 1033.22
    triethyl phosphate 1420.02
    4-methyl-2-pentanol 1383.65
    propionitrile 4002.76
    vinylene carbonate 3708.43
    1,1,2-trichlorotrifluoroethane 3864.44
    DMS 2002.28
    cumene 1131.86
    2-octanol 1262.34
    2-hexanone 4433.5
    octyl acetate 1795.27
    limonene 4490.01
    1,2-dimethoxyethane 6277.71
    ethyl orthosilicate 1572.23
    tributyl phosphate 1117.16
    diacetone alcohol 3134.92
    N,N-dimethylaniline 1751.36
    acrylonitrile 3824.01
    aniline 3725.78
    1,3-propanediol 1260.44
    bromobenzene 7239.76
    dibromomethane 9093.56
    1,1,2,2-tetrachloroethane 10348.88
    2-methyl-cyclohexyl acetate 2803.55
    tetrabutyl urea 1625.65
    diisobutyl methanol 2204.39
    2-phenylethanol 2171.73
    styrene 3240.06
    dioctyl adipate 1820.76
    dimethyl sulfate 1685.96
    ethyl butyrate 5562.33
    methyl lactate 1033.38
    butyl lactate 1840.41
    diethyl carbonate 2575.93
    propanediol butyl ether 1524.38
    triethyl orthoformate 3406.54
    p-tert-butyltoluene 1942.08
    methyl 4-tert-butylbenzoate 1659.98
    morpholine 11720.06
    tert-butylamine 3045.82
    n-dodecanol 814.89
    dimethoxymethane 4639.1
    ethylene carbonate 3827.46
    cyrene 1325.39
    2-ethoxyethyl acetate 3499.56
    2-ethylhexyl acetate 5093.79
    1,2,4-trichlorobenzene 3975.45
    4-methylpyridine 9715.54
    dibutyl ether 5503.4
    2,6-dimethyl-4-heptanol 2204.39
    DEF 6198.21
    dimethyl isosorbide 3272.19
    tetrachloroethylene 6364.26
    eugenol 1299.85
    triacetin 2329.3
    span 80 1834.07
    1,4-butanediol 497.82
    1,1-dichloroethane 9113.01
    2-methyl-1-pentanol 1592.23
    methyl formate 1740.34
    2-methyl-1-butanol 2355.83
    n-decane 950.68
    butyronitrile 5789.31
    3,7-dimethyl-1-octanol 1901.38
    1-chlorooctane 2353.42
    1-chlorotetradecane 824.16
    n-nonane 1178.88
    undecane 593.65
    tert-butylcyclohexane 988.3
    cyclooctane 2385.85
    cyclopentanol 4791.74
    tetrahydropyran 18565.55
    tert-amyl methyl ether 3908.12
    2,5,8-trioxanonane 2889.2
    1-hexene 4701.45
    2-isopropoxyethanol 1583.43
    2,2,2-trifluoroethanol 488.0
    methyl butyrate 4610.68

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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

Botanical

Name CAS Botanical Proportion
Nigella sativa seed Nigella sativa L., fam. Ranunculaceae 0.25%