Ethyl isopropyl disulfide

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  • Identifiers

    CAS number
    53966-36-2

    Molecular formula
    C5H12S2

    SMILES
    CCSSC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 91.26%
    Onion 78.89%
    Alliaceous 76.85%
    Garlic 71.75%
    Vegetable 66.45%
    Green 64.73%
    Meaty 61.92%
    Savory 60.11%
    Tropical 53.03%
    Cooked 44.48%

     

    Flavor
    Onion 71.8%
    Sulfurous 69.73%
    Garlic 54.36%
    Meaty 46.76%
    Sulfury 42.71%
    Alliaceous 42.24%
    Cabbage 36.78%
    Cooked 32.89%
    Gassy 27.06%
    Green 26.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.8 (weak acid)

    Molecular weight
    136.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 41.31 ˚C est.

  • Synonyms

    • Ethyl isopropyl disulfide
    • 2-(Ethyldisulfanyl)propane
    • Disulfide, ethyl 1-methylethyl
    • 2-Methyl-3,4-dithiahexane
    • Ethyl 1-methylethyl disulfide
    • Ethyl i-propyl disulfide
    • Disulfide, ethyl isopropyl
    • DTXSID10334646
    • Ethyl 1-methylethyl disulfide, 9CI
    • ethyl isopropyl disulphide
    • RefChem:138966
    • 2-(Ethyldisulphanyl)propane
    • DTXCID20285736
    • PUUCPZKSTXFGOC-UHFFFAOYSA-N
    • 53966-36-2
    • 2-(ethyldisulanyl)propane
    • Z3VFJ8Q4HE
    • 2-(Ethyldisulfanyl)propane #
    • SCHEMBL576236
    • CHEBI:173573
    • DB-250737
    • 53966-36-2

  • Applications

    Ethyl isopropyl disulfide (CAS 53966-36-2) is primarily used as an odorant/fragrance ingredient and as a sulfur-containing intermediate in organic synthesis. In perfumery and cosmetics, it can function as a fragrance component and may act as a fixative within formulations. It is also evaluated for use in household products as a scent additive. In industrial manufacturing, it serves as a chemical intermediate for preparing other sulfur-containing compounds; in coatings and inks it can be used as an odorant additive or feedstock for sulfur-containing polymers; in adhesives, it may be incorporated as a specialty ingredient under formulation controls. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 242.14
    methanol 164.29
    isopropanol 301.15
    water 0.11
    ethyl acetate 870.5
    n-propanol 296.74
    acetone 1325.91
    n-butanol 374.04
    acetonitrile 484.35
    DMF 1175.05
    toluene 946.69
    isobutanol 288.13
    1,4-dioxane 1482.77
    methyl acetate 771.27
    THF 2772.43
    2-butanone 1109.68
    n-pentanol 244.52
    sec-butanol 350.0
    n-hexane 237.34
    ethylene glycol 43.13
    NMP 1645.72
    cyclohexane 655.68
    DMSO 1102.56
    n-butyl acetate 1445.41
    n-octanol 385.49
    chloroform 1864.28
    n-propyl acetate 559.3
    acetic acid 290.59
    dichloromethane 1414.52
    cyclohexanone 2488.55
    propylene glycol 96.5
    isopropyl acetate 706.55
    DMAc 983.28
    2-ethoxyethanol 314.76
    isopentanol 346.65
    n-heptane 472.72
    ethyl formate 417.47
    1,2-dichloroethane 991.86
    n-hexanol 607.91
    2-methoxyethanol 488.74
    isobutyl acetate 458.09
    tetrachloromethane 556.9
    n-pentyl acetate 721.03
    transcutol 1172.04
    n-heptanol 316.11
    ethylbenzene 392.86
    MIBK 736.93
    2-propoxyethanol 803.5
    tert-butanol 532.28
    MTBE 852.32
    2-butoxyethanol 431.47
    propionic acid 325.13
    o-xylene 572.01
    formic acid 38.14
    diethyl ether 819.66
    m-xylene 669.53
    p-xylene 491.86
    chlorobenzene 1035.82
    dimethyl carbonate 298.14
    n-octane 164.33
    formamide 66.8
    cyclopentanone 2718.4
    2-pentanone 1081.52
    anisole 681.07
    cyclopentyl methyl ether 1584.13
    gamma-butyrolactone 1996.27
    1-methoxy-2-propanol 543.43
    pyridine 1284.7
    3-pentanone 927.09
    furfural 1471.7
    n-dodecane 108.33
    diethylene glycol 352.96
    diisopropyl ether 445.81
    tert-amyl alcohol 487.88
    acetylacetone 1310.54
    n-hexadecane 130.16
    acetophenone 650.32
    methyl propionate 665.23
    isopentyl acetate 1173.71
    trichloroethylene 1928.45
    n-nonanol 343.9
    cyclohexanol 772.41
    benzyl alcohol 377.9
    2-ethylhexanol 559.95
    isooctanol 275.82
    dipropyl ether 1093.31
    1,2-dichlorobenzene 953.79
    ethyl lactate 234.36
    propylene carbonate 1124.8
    n-methylformamide 309.02
    2-pentanol 354.42
    n-pentane 203.13
    1-propoxy-2-propanol 828.72
    1-methoxy-2-propyl acetate 1130.37
    2-(2-methoxypropoxy) propanol 475.19
    mesitylene 514.1
    ε-caprolactone 1608.18
    p-cymene 474.7
    epichlorohydrin 1571.64
    1,1,1-trichloroethane 1588.44
    2-aminoethanol 89.11
    morpholine-4-carbaldehyde 1378.96
    sulfolane 2508.31
    2,2,4-trimethylpentane 126.26
    2-methyltetrahydrofuran 1971.15
    n-hexyl acetate 946.54
    isooctane 127.59
    2-(2-butoxyethoxy)ethanol 605.81
    sec-butyl acetate 474.49
    tert-butyl acetate 961.79
    decalin 245.44
    glycerin 133.76
    diglyme 1167.7
    acrylic acid 260.35
    isopropyl myristate 479.82
    n-butyric acid 625.72
    acetyl acetate 651.31
    di(2-ethylhexyl) phthalate 303.71
    ethyl propionate 513.08
    nitromethane 669.78
    1,2-diethoxyethane 926.71
    benzonitrile 760.29
    trioctyl phosphate 268.58
    1-bromopropane 803.72
    gamma-valerolactone 2240.96
    n-decanol 261.78
    triethyl phosphate 403.71
    4-methyl-2-pentanol 246.59
    propionitrile 522.91
    vinylene carbonate 885.91
    1,1,2-trichlorotrifluoroethane 845.43
    DMS 627.55
    cumene 267.65
    2-octanol 305.64
    2-hexanone 700.35
    octyl acetate 531.78
    limonene 898.92
    1,2-dimethoxyethane 895.61
    ethyl orthosilicate 397.4
    tributyl phosphate 337.66
    diacetone alcohol 764.18
    N,N-dimethylaniline 473.51
    acrylonitrile 528.76
    aniline 646.62
    1,3-propanediol 196.13
    bromobenzene 1260.47
    dibromomethane 1121.17
    1,1,2,2-tetrachloroethane 1604.31
    2-methyl-cyclohexyl acetate 748.63
    tetrabutyl urea 471.91
    diisobutyl methanol 439.43
    2-phenylethanol 576.72
    styrene 510.37
    dioctyl adipate 519.62
    dimethyl sulfate 552.28
    ethyl butyrate 927.33
    methyl lactate 278.96
    butyl lactate 455.86
    diethyl carbonate 529.36
    propanediol butyl ether 401.75
    triethyl orthoformate 644.89
    p-tert-butyltoluene 518.36
    methyl 4-tert-butylbenzoate 628.45
    morpholine 1395.21
    tert-butylamine 364.55
    n-dodecanol 218.45
    dimethoxymethane 729.46
    ethylene carbonate 783.91
    cyrene 514.51
    2-ethoxyethyl acetate 749.49
    2-ethylhexyl acetate 1044.92
    1,2,4-trichlorobenzene 1074.43
    4-methylpyridine 1455.21
    dibutyl ether 793.72
    2,6-dimethyl-4-heptanol 439.43
    DEF 1013.28
    dimethyl isosorbide 1158.03
    tetrachloroethylene 954.23
    eugenol 486.81
    triacetin 713.05
    span 80 556.78
    1,4-butanediol 89.16
    1,1-dichloroethane 1183.79
    2-methyl-1-pentanol 248.71
    methyl formate 309.92
    2-methyl-1-butanol 329.05
    n-decane 185.16
    butyronitrile 654.96
    3,7-dimethyl-1-octanol 435.79
    1-chlorooctane 494.11
    1-chlorotetradecane 223.78
    n-nonane 205.94
    undecane 136.64
    tert-butylcyclohexane 224.95
    cyclooctane 312.96
    cyclopentanol 733.31
    tetrahydropyran 1834.09
    tert-amyl methyl ether 701.89
    2,5,8-trioxanonane 761.37
    1-hexene 452.24
    2-isopropoxyethanol 309.99
    2,2,2-trifluoroethanol 121.71
    methyl butyrate 684.11

    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