Isopropyl propyl disulfide

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  • Identifiers

    CAS number
    33672-51-4

    Molecular formula
    C6H14S2

    SMILES
    CCCSSC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 89.67%
    Alliaceous 79.5%
    Onion 78.88%
    Green 77.22%
    Garlic 71.39%
    Vegetable 70.38%
    Savory 61.12%
    Meaty 59.14%
    Tropical 46.76%
    Cooked 45.39%

     

    Flavor
    Onion 71.32%
    Sulfurous 68.45%
    Garlic 55.3%
    Alliaceous 43.28%
    Sulfury 41.01%
    Green 37.92%
    Meaty 37.53%
    Cabbage 32.23%
    Cooked 31.34%
    Metallic 28.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.22 (weak acid)

    Molecular weight
    150.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 59.08 ˚C est.

  • Synonyms

    • Isopropyl propyl disulfide
    • Isopropyl propyl disulphide
    • Disulfide, isopropyl propyl
    • 33672-51-4
    • Disulfide, 1-methylethyl propyl
    • 2-methyl-3,4-dithiaheptane
    • 1-(propan-2-yldisulfanyl)propane
    • Disulfide,1-methylethyl propyl
    • EINECS 251-628-9
    • Propyl isopropyl disulfide
    • 2-isopropyldisulfanylpropane
    • 1-(Isopropyldisulfanyl)propane
    • SCHEMBL2589138
    • DTXSID10187351
    • 1-[(Propan-2-yl)disulfanyl]propane
    • AKOS006328338
    • NS00029522
    • 33672-51-4

  • Applications

    Isopropyl propyl disulfide (CAS 33672-51-4) is a sulfur-containing compound typically considered for fragrance-related applications. It is often evaluated as an odorant or fragrance ingredient in perfumery and may be used in cosmetics and personal care formulations to contribute scent characteristics. It can also appear in household and cleaning products as an odorant component. In industrial manufacturing, it may serve as an intermediate or building block in chemical synthesis. Depending on regulatory acceptance, it may be considered for flavor-related applications in food-related formulations. The exact use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 448.68
    methanol 244.57
    isopropanol 513.51
    water 0.06
    ethyl acetate 1095.66
    n-propanol 494.83
    acetone 1655.98
    n-butanol 619.84
    acetonitrile 630.42
    DMF 1304.01
    toluene 1374.63
    isobutanol 469.31
    1,4-dioxane 2122.62
    methyl acetate 847.35
    THF 4431.82
    2-butanone 1336.91
    n-pentanol 403.91
    sec-butanol 563.19
    n-hexane 391.35
    ethylene glycol 51.27
    NMP 1788.69
    cyclohexane 1365.06
    DMSO 1372.48
    n-butyl acetate 2059.49
    n-octanol 543.38
    chloroform 2375.25
    n-propyl acetate 725.58
    acetic acid 404.35
    dichloromethane 2048.72
    cyclohexanone 3266.85
    propylene glycol 130.41
    isopropyl acetate 809.67
    DMAc 964.61
    2-ethoxyethanol 398.48
    isopentanol 553.95
    n-heptane 1120.21
    ethyl formate 562.19
    1,2-dichloroethane 1321.56
    n-hexanol 1050.83
    2-methoxyethanol 605.4
    isobutyl acetate 557.67
    tetrachloromethane 628.88
    n-pentyl acetate 908.26
    transcutol 1451.88
    n-heptanol 464.77
    ethylbenzene 522.14
    MIBK 828.4
    2-propoxyethanol 1023.58
    tert-butanol 828.74
    MTBE 1082.22
    2-butoxyethanol 516.86
    propionic acid 415.99
    o-xylene 730.99
    formic acid 40.82
    diethyl ether 1222.5
    m-xylene 833.47
    p-xylene 674.45
    chlorobenzene 1279.4
    dimethyl carbonate 275.23
    n-octane 280.35
    formamide 81.15
    cyclopentanone 3249.43
    2-pentanone 1340.07
    anisole 782.78
    cyclopentyl methyl ether 2209.81
    gamma-butyrolactone 2214.82
    1-methoxy-2-propanol 628.17
    pyridine 1912.21
    3-pentanone 1060.47
    furfural 1546.19
    n-dodecane 155.45
    diethylene glycol 404.4
    diisopropyl ether 558.1
    tert-amyl alcohol 648.16
    acetylacetone 1338.09
    n-hexadecane 186.55
    acetophenone 747.05
    methyl propionate 738.63
    isopentyl acetate 1581.36
    trichloroethylene 2258.88
    n-nonanol 473.75
    cyclohexanol 1310.08
    benzyl alcohol 463.3
    2-ethylhexanol 947.3
    isooctanol 372.93
    dipropyl ether 1858.55
    1,2-dichlorobenzene 1026.22
    ethyl lactate 258.92
    propylene carbonate 1286.27
    n-methylformamide 366.61
    2-pentanol 545.91
    n-pentane 389.74
    1-propoxy-2-propanol 1137.0
    1-methoxy-2-propyl acetate 1285.76
    2-(2-methoxypropoxy) propanol 552.66
    mesitylene 605.16
    ε-caprolactone 2052.05
    p-cymene 690.18
    epichlorohydrin 1884.21
    1,1,1-trichloroethane 1800.54
    2-aminoethanol 125.87
    morpholine-4-carbaldehyde 1615.41
    sulfolane 2567.48
    2,2,4-trimethylpentane 158.5
    2-methyltetrahydrofuran 3066.18
    n-hexyl acetate 1179.81
    isooctane 162.46
    2-(2-butoxyethoxy)ethanol 713.09
    sec-butyl acetate 574.61
    tert-butyl acetate 1005.96
    decalin 344.78
    glycerin 142.25
    diglyme 1421.37
    acrylic acid 302.93
    isopropyl myristate 597.14
    n-butyric acid 842.95
    acetyl acetate 676.77
    di(2-ethylhexyl) phthalate 395.01
    ethyl propionate 619.1
    nitromethane 727.93
    1,2-diethoxyethane 1312.52
    benzonitrile 943.44
    trioctyl phosphate 354.79
    1-bromopropane 1270.68
    gamma-valerolactone 2711.87
    n-decanol 356.59
    triethyl phosphate 484.4
    4-methyl-2-pentanol 330.73
    propionitrile 694.05
    vinylene carbonate 999.29
    1,1,2-trichlorotrifluoroethane 921.56
    DMS 599.74
    cumene 330.52
    2-octanol 414.79
    2-hexanone 895.94
    octyl acetate 674.41
    limonene 1436.07
    1,2-dimethoxyethane 1192.62
    ethyl orthosilicate 489.88
    tributyl phosphate 450.16
    diacetone alcohol 829.62
    N,N-dimethylaniline 513.42
    acrylonitrile 647.87
    aniline 798.61
    1,3-propanediol 260.52
    bromobenzene 1583.18
    dibromomethane 1671.29
    1,1,2,2-tetrachloroethane 1884.61
    2-methyl-cyclohexyl acetate 1030.57
    tetrabutyl urea 652.72
    diisobutyl methanol 666.25
    2-phenylethanol 725.14
    styrene 696.01
    dioctyl adipate 703.98
    dimethyl sulfate 439.13
    ethyl butyrate 1367.5
    methyl lactate 269.38
    butyl lactate 569.05
    diethyl carbonate 697.21
    propanediol butyl ether 460.49
    triethyl orthoformate 909.28
    p-tert-butyltoluene 712.64
    methyl 4-tert-butylbenzoate 670.31
    morpholine 2121.04
    tert-butylamine 602.0
    n-dodecanol 298.13
    dimethoxymethane 859.92
    ethylene carbonate 910.96
    cyrene 563.84
    2-ethoxyethyl acetate 887.92
    2-ethylhexyl acetate 1468.67
    1,2,4-trichlorobenzene 1116.26
    4-methylpyridine 1940.4
    dibutyl ether 1209.42
    2,6-dimethyl-4-heptanol 666.25
    DEF 1197.64
    dimethyl isosorbide 1352.35
    tetrachloroethylene 1114.27
    eugenol 515.68
    triacetin 779.98
    span 80 704.14
    1,4-butanediol 117.63
    1,1-dichloroethane 1488.03
    2-methyl-1-pentanol 364.67
    methyl formate 344.92
    2-methyl-1-butanol 511.09
    n-decane 282.22
    butyronitrile 1002.42
    3,7-dimethyl-1-octanol 590.03
    1-chlorooctane 685.96
    1-chlorotetradecane 296.89
    n-nonane 331.02
    undecane 197.07
    tert-butylcyclohexane 274.73
    cyclooctane 527.34
    cyclopentanol 1176.2
    tetrahydropyran 3255.43
    tert-amyl methyl ether 837.75
    2,5,8-trioxanonane 962.85
    1-hexene 775.72
    2-isopropoxyethanol 363.81
    2,2,2-trifluoroethanol 113.5
    methyl butyrate 870.3

    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