Diisopropyl disulfide

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  • Identifiers

    CAS number
    4253-89-8

    Molecular formula
    C6H14S2

    SMILES
    CC(C)SSC(C)C

  • Odor profile

    Fragrance
    Sulfurous 91.98%
    Onion 75.37%
    Alliaceous 74.63%
    Meaty 70.79%
    Garlic 66.95%
    Vegetable 65.95%
    Savory 61.92%
    Green 58.45%
    Tropical 50.87%
    Roasted 45.6%

     

    Flavor
    Sulfurous 67.21%
    Onion 61.34%
    Meaty 52.85%
    Sulfury 41.66%
    Garlic 40.81%
    Alliaceous 39.76%
    Cabbage 34.18%
    Cooked 31.2%
    Gassy 24.83%
    Glue 23.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.03 (neutral)

    Molecular weight
    150.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -69 °C

    Boiling point

    • 175.00 to 177.00 °C. @ 760.00 mm Hg

    Flash point

    • 50.6 ˚C est.

    Solubility expt.

    • very slightly
    • very slightly soluble in water; soluble in alcohols and oils

  • Synonyms

    • Diisopropyl disulfide
    • Isopropyl disulfide
    • 4253-89-8
    • Disulfide, bis(1-methylethyl)
    • Diisopropyl disulphide
    • 2-(propan-2-yldisulfanyl)propane
    • 1,2-Diisopropyldisulfane
    • 2,5-Dimethyl-3,4-dithiahexane
    • 2,2'-dithiodipropane
    • EINECS 224-225-0
    • NSC 75123
    • BP550P623A
    • NSC-75123
    • Isopropyl disulfide (8CI)
    • DTXSID6022216
    • FEMA NO. 3827
    • DIISOPROPYL DISULFIDE [FHFI]
    • Disulfide, bis(1-methylethyl) (9CI)
    • ISOPROPYLDISULFIDE
    • UNII-BP550P623A
    • diisopropyldisulfide
    • diisopropyldisulphide
    • iso-propyl disulfide
    • MFCD00008894
    • Isopropyl disulfide, 96%
    • bis(1-Methylethyl) disulphide
    • SCHEMBL224884
    • 2-(Isopropyldisulfanyl)propane
    • DTXCID302216
    • (i-C3H7S)2
    • 2-(propan-2-yldisulanyl)propane
    • FEMA 3827
    • 2-(Isopropyldisulfanyl)propane #
    • CHEBI:173637
    • Isopropyl disulfide, >=96%, FG
    • NSC75123
    • Bis(1-methylethyl) disulfide, 9CI
    • AKOS015899645
    • LS-13227
    • DB-003693
    • D2582
    • NS00008028
    • D78351
    • EN300-7535075
    • Q27274784
    • InChI=1/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H

  • Applications

    Diisopropyl disulfide (CAS 4253-89-8) is used as an odorant component in perfumery and personal care products, and may be incorporated into household cleaners and other products to impart scent. It also serves as a chemical intermediate in organic synthesis, providing a sulfur-containing disulfide motif for the manufacture of specialty compounds in industrial manufacturing. In the polymer and plastics field, it can be considered as a sulfur-containing building block for network formation or property modification in polymer systems. Real-world use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 89.63
    methanol 59.51
    isopropanol 131.34
    water 0.11
    ethyl acetate 493.3
    n-propanol 125.54
    acetone 723.71
    n-butanol 154.32
    acetonitrile 213.8
    DMF 796.24
    toluene 545.2
    isobutanol 138.05
    1,4-dioxane 766.44
    methyl acetate 480.56
    THF 1795.85
    2-butanone 685.59
    n-pentanol 110.93
    sec-butanol 173.96
    n-hexane 146.11
    ethylene glycol 22.11
    NMP 1327.01
    cyclohexane 360.05
    DMSO 590.93
    n-butyl acetate 763.08
    n-octanol 250.66
    chloroform 1096.56
    n-propyl acetate 352.39
    acetic acid 133.39
    dichloromethane 779.83
    cyclohexanone 1566.69
    propylene glycol 54.03
    isopropyl acetate 450.82
    DMAc 833.95
    2-ethoxyethanol 149.21
    isopentanol 169.79
    n-heptane 278.26
    ethyl formate 227.64
    1,2-dichloroethane 576.72
    n-hexanol 290.02
    2-methoxyethanol 223.69
    isobutyl acetate 307.56
    tetrachloromethane 305.82
    n-pentyl acetate 436.27
    transcutol 550.64
    n-heptanol 183.63
    ethylbenzene 288.61
    MIBK 483.49
    2-propoxyethanol 388.01
    tert-butanol 280.59
    MTBE 490.76
    2-butoxyethanol 239.97
    propionic acid 170.89
    o-xylene 412.89
    formic acid 16.81
    diethyl ether 396.61
    m-xylene 438.65
    p-xylene 409.5
    chlorobenzene 642.32
    dimethyl carbonate 227.36
    n-octane 121.83
    formamide 34.78
    cyclopentanone 2027.77
    2-pentanone 642.1
    anisole 482.57
    cyclopentyl methyl ether 1048.19
    gamma-butyrolactone 1512.58
    1-methoxy-2-propanol 282.61
    pyridine 680.87
    3-pentanone 600.62
    furfural 1009.94
    n-dodecane 86.43
    diethylene glycol 169.74
    diisopropyl ether 269.49
    tert-amyl alcohol 274.22
    acetylacetone 898.5
    n-hexadecane 104.13
    acetophenone 514.58
    methyl propionate 441.96
    isopentyl acetate 717.72
    trichloroethylene 1220.49
    n-nonanol 234.65
    cyclohexanol 403.32
    benzyl alcohol 244.14
    2-ethylhexanol 323.87
    isooctanol 174.92
    dipropyl ether 606.09
    1,2-dichlorobenzene 662.12
    ethyl lactate 175.8
    propylene carbonate 865.17
    n-methylformamide 178.98
    2-pentanol 173.35
    n-pentane 111.5
    1-propoxy-2-propanol 463.47
    1-methoxy-2-propyl acetate 732.39
    2-(2-methoxypropoxy) propanol 330.36
    mesitylene 372.09
    ε-caprolactone 1038.4
    p-cymene 365.85
    epichlorohydrin 1031.58
    1,1,1-trichloroethane 1055.78
    2-aminoethanol 43.74
    morpholine-4-carbaldehyde 898.51
    sulfolane 2063.63
    2,2,4-trimethylpentane 88.25
    2-methyltetrahydrofuran 1227.64
    n-hexyl acetate 640.84
    isooctane 88.71
    2-(2-butoxyethoxy)ethanol 351.02
    sec-butyl acetate 333.49
    tert-butyl acetate 660.52
    decalin 187.99
    glycerin 75.12
    diglyme 667.12
    acrylic acid 149.08
    isopropyl myristate 379.96
    n-butyric acid 288.57
    acetyl acetate 428.86
    di(2-ethylhexyl) phthalate 241.12
    ethyl propionate 359.8
    nitromethane 375.68
    1,2-diethoxyethane 481.43
    benzonitrile 457.89
    trioctyl phosphate 216.72
    1-bromopropane 465.56
    gamma-valerolactone 1470.15
    n-decanol 185.55
    triethyl phosphate 337.0
    4-methyl-2-pentanol 142.29
    propionitrile 249.85
    vinylene carbonate 619.2
    1,1,2-trichlorotrifluoroethane 575.69
    DMS 500.87
    cumene 219.28
    2-octanol 191.15
    2-hexanone 447.82
    octyl acetate 409.14
    limonene 629.19
    1,2-dimethoxyethane 495.68
    ethyl orthosilicate 311.16
    tributyl phosphate 271.59
    diacetone alcohol 515.64
    N,N-dimethylaniline 375.37
    acrylonitrile 279.63
    aniline 363.02
    1,3-propanediol 86.22
    bromobenzene 800.54
    dibromomethane 617.25
    1,1,2,2-tetrachloroethane 1113.52
    2-methyl-cyclohexyl acetate 579.4
    tetrabutyl urea 374.52
    diisobutyl methanol 299.24
    2-phenylethanol 361.69
    styrene 345.04
    dioctyl adipate 417.75
    dimethyl sulfate 475.01
    ethyl butyrate 568.29
    methyl lactate 207.75
    butyl lactate 310.76
    diethyl carbonate 357.32
    propanediol butyl ether 244.32
    triethyl orthoformate 430.98
    p-tert-butyltoluene 419.11
    methyl 4-tert-butylbenzoate 516.83
    morpholine 707.05
    tert-butylamine 198.41
    n-dodecanol 158.71
    dimethoxymethane 471.95
    ethylene carbonate 525.76
    cyrene 437.95
    2-ethoxyethyl acetate 450.64
    2-ethylhexyl acetate 676.64
    1,2,4-trichlorobenzene 810.47
    4-methylpyridine 830.36
    dibutyl ether 507.39
    2,6-dimethyl-4-heptanol 299.24
    DEF 608.26
    dimethyl isosorbide 894.13
    tetrachloroethylene 612.82
    eugenol 360.48
    triacetin 549.39
    span 80 405.33
    1,4-butanediol 45.7
    1,1-dichloroethane 721.43
    2-methyl-1-pentanol 128.85
    methyl formate 207.71
    2-methyl-1-butanol 166.78
    n-decane 146.68
    butyronitrile 288.4
    3,7-dimethyl-1-octanol 287.39
    1-chlorooctane 371.67
    1-chlorotetradecane 176.5
    n-nonane 160.15
    undecane 108.33
    tert-butylcyclohexane 180.62
    cyclooctane 207.64
    cyclopentanol 454.2
    tetrahydropyran 976.38
    tert-amyl methyl ether 459.83
    2,5,8-trioxanonane 494.73
    1-hexene 252.87
    2-isopropoxyethanol 160.49
    2,2,2-trifluoroethanol 76.52
    methyl butyrate 459.59

    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