Isopropyl n-butyl disulphide

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  • Identifiers

    CAS number
    72437-53-7

    Molecular formula
    C7H16S2

    SMILES
    CCCCSSC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 88.0%
    Alliaceous 77.88%
    Green 77.83%
    Onion 77.33%
    Vegetable 69.79%
    Garlic 68.27%
    Savory 61.17%
    Meaty 59.98%
    Cooked 43.64%
    Tropical 42.47%

     

    Flavor
    Sulfurous 65.02%
    Onion 64.23%
    Garlic 47.96%
    Sulfury 40.15%
    Alliaceous 37.19%
    Meaty 35.09%
    Green 33.11%
    Cooked 29.14%
    Cabbage 28.8%
    Metallic 26.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    5.98 (weak acid)

    Molecular weight
    164.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 75.34 ˚C est.

  • Synonyms

    • Isopropyl n-butyl disulphide
    • Butyl isopropyl disulfide
    • 2-methyl-3,4-dithiaoctane
    • 72437-53-7
    • Disulfide, butyl (1-methylethyl)
    • 1-(propan-2-yldisulfanyl)butane
    • n-butyl isopropyl disulfide
    • 1-(Isopropyldisulfanyl)butane
    • 1-(propan-2-yldisulanyl)butane
    • SCHEMBL26167716
    • 1-(Isopropyldisulfanyl)butane #
    • DTXSID80335488
    • CHEBI:173725
    • 1-[(Propan-2-yl)disulfanyl]butane
    • Butyl 1-methylethyl disulfide, 9CI
    • 72437-53-7

  • Applications

    Isopropyl n-butyl disulphide (CAS 72437-53-7) can be used in fragrance-related applications as an odorant and fixative, helping to impart and stabilize sulfur-containing notes in perfumery and scented consumer products. It may also appear in cosmetics and personal care formulations as a fragrance ingredient. In household products and cleaning agents, it can serve as a fragrance component or odor modulator. In industrial manufacturing, it may function as an intermediate or processing aid in specialty chemical syntheses. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1279.32
    methanol 640.62
    isopropanol 1359.11
    water 0.05
    ethyl acetate 3209.34
    n-propanol 1396.84
    acetone 4730.06
    n-butanol 1736.01
    acetonitrile 1694.97
    DMF 2674.44
    toluene 3579.49
    isobutanol 1249.43
    1,4-dioxane 5701.45
    methyl acetate 2328.5
    THF 10077.16
    2-butanone 3892.45
    n-pentanol 1083.52
    sec-butanol 1516.19
    n-hexane 1246.94
    ethylene glycol 104.87
    NMP 3191.96
    cyclohexane 3845.63
    DMSO 3066.93
    n-butyl acetate 5140.64
    n-octanol 1149.6
    chloroform 6125.87
    n-propyl acetate 2036.1
    acetic acid 967.39
    dichloromethane 4731.05
    cyclohexanone 8033.64
    propylene glycol 285.72
    isopropyl acetate 2292.04
    DMAc 2112.14
    2-ethoxyethanol 1062.35
    isopentanol 1647.66
    n-heptane 2068.41
    ethyl formate 1331.02
    1,2-dichloroethane 3482.71
    n-hexanol 2475.22
    2-methoxyethanol 1600.98
    isobutyl acetate 1403.41
    tetrachloromethane 1551.53
    n-pentyl acetate 2022.36
    transcutol 4092.25
    n-heptanol 1002.11
    ethylbenzene 1274.55
    MIBK 2198.5
    2-propoxyethanol 2571.82
    tert-butanol 2222.46
    MTBE 3435.17
    2-butoxyethanol 1290.04
    propionic acid 1016.71
    o-xylene 1628.2
    formic acid 91.75
    diethyl ether 4074.55
    m-xylene 1852.49
    p-xylene 1590.62
    chlorobenzene 3043.65
    dimethyl carbonate 590.67
    n-octane 552.24
    formamide 184.08
    cyclopentanone 7020.89
    2-pentanone 3852.16
    anisole 1754.81
    cyclopentyl methyl ether 5658.58
    gamma-butyrolactone 4542.9
    1-methoxy-2-propanol 1601.65
    pyridine 4928.2
    3-pentanone 2883.62
    furfural 3321.26
    n-dodecane 256.92
    diethylene glycol 882.48
    diisopropyl ether 1640.04
    tert-amyl alcohol 1842.91
    acetylacetone 3275.09
    n-hexadecane 319.33
    acetophenone 1542.3
    methyl propionate 1914.95
    isopentyl acetate 3822.92
    trichloroethylene 5736.66
    n-nonanol 973.89
    cyclohexanol 3114.73
    benzyl alcohol 1018.49
    2-ethylhexanol 2104.78
    isooctanol 853.54
    dipropyl ether 4590.28
    1,2-dichlorobenzene 2210.85
    ethyl lactate 550.05
    propylene carbonate 2625.5
    n-methylformamide 818.45
    2-pentanol 1497.91
    n-pentane 1090.66
    1-propoxy-2-propanol 2677.09
    1-methoxy-2-propyl acetate 2820.44
    2-(2-methoxypropoxy) propanol 1044.42
    mesitylene 1264.38
    ε-caprolactone 4528.31
    p-cymene 1260.42
    epichlorohydrin 4600.42
    1,1,1-trichloroethane 4824.73
    2-aminoethanol 307.32
    morpholine-4-carbaldehyde 3183.34
    sulfolane 4874.88
    2,2,4-trimethylpentane 435.33
    2-methyltetrahydrofuran 7629.43
    n-hexyl acetate 2513.93
    isooctane 405.19
    2-(2-butoxyethoxy)ethanol 1511.9
    sec-butyl acetate 1513.42
    tert-butyl acetate 2793.29
    decalin 835.29
    glycerin 305.55
    diglyme 3164.08
    acrylic acid 680.51
    isopropyl myristate 1037.1
    n-butyric acid 2237.94
    acetyl acetate 1742.27
    di(2-ethylhexyl) phthalate 640.72
    ethyl propionate 1620.66
    nitromethane 1851.63
    1,2-diethoxyethane 3639.2
    benzonitrile 2095.63
    trioctyl phosphate 549.3
    1-bromopropane 3486.32
    gamma-valerolactone 6173.3
    n-decanol 691.63
    triethyl phosphate 926.19
    4-methyl-2-pentanol 886.93
    propionitrile 1859.3
    vinylene carbonate 1906.45
    1,1,2-trichlorotrifluoroethane 2088.77
    DMS 1195.56
    cumene 703.39
    2-octanol 849.73
    2-hexanone 2479.4
    octyl acetate 1211.74
    limonene 2855.58
    1,2-dimethoxyethane 3220.61
    ethyl orthosilicate 1008.11
    tributyl phosphate 749.17
    diacetone alcohol 1898.98
    N,N-dimethylaniline 1106.85
    acrylonitrile 1613.9
    aniline 2069.76
    1,3-propanediol 651.72
    bromobenzene 3722.01
    dibromomethane 4011.75
    1,1,2,2-tetrachloroethane 4894.64
    2-methyl-cyclohexyl acetate 1921.41
    tetrabutyl urea 1020.77
    diisobutyl methanol 1347.65
    2-phenylethanol 1501.78
    styrene 1770.37
    dioctyl adipate 1189.64
    dimethyl sulfate 886.39
    ethyl butyrate 2986.29
    methyl lactate 566.14
    butyl lactate 1141.16
    diethyl carbonate 1490.8
    propanediol butyl ether 1002.43
    triethyl orthoformate 2040.68
    p-tert-butyltoluene 1320.15
    methyl 4-tert-butylbenzoate 1176.18
    morpholine 5797.65
    tert-butylamine 1702.97
    n-dodecanol 531.95
    dimethoxymethane 2046.58
    ethylene carbonate 1951.13
    cyrene 993.26
    2-ethoxyethyl acetate 2010.95
    2-ethylhexyl acetate 3394.0
    1,2,4-trichlorobenzene 2393.61
    4-methylpyridine 5054.57
    dibutyl ether 2948.06
    2,6-dimethyl-4-heptanol 1347.65
    DEF 3040.45
    dimethyl isosorbide 2328.76
    tetrachloroethylene 2905.68
    eugenol 917.23
    triacetin 1562.41
    span 80 1303.79
    1,4-butanediol 279.28
    1,1-dichloroethane 4193.57
    2-methyl-1-pentanol 999.46
    methyl formate 728.79
    2-methyl-1-butanol 1422.76
    n-decane 553.86
    butyronitrile 2713.53
    3,7-dimethyl-1-octanol 1273.84
    1-chlorooctane 1447.9
    1-chlorotetradecane 513.4
    n-nonane 655.96
    undecane 356.39
    tert-butylcyclohexane 656.36
    cyclooctane 1278.9
    cyclopentanol 2511.23
    tetrahydropyran 9290.45
    tert-amyl methyl ether 2459.64
    2,5,8-trioxanonane 1849.88
    1-hexene 2483.37
    2-isopropoxyethanol 937.3
    2,2,2-trifluoroethanol 269.47
    methyl butyrate 2320.56

    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