Diisopropyl sulfide

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  • Identifiers

    CAS number
    625-80-9

    Molecular formula
    C6H14S

    SMILES
    CC(C)SC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 85.9%
    Meaty 66.26%
    Onion 63.04%
    Vegetable 62.05%
    Garlic 56.6%
    Alliaceous 54.33%
    Savory 53.16%
    Tropical 39.5%
    Roasted 39.45%
    Cooked 34.46%

     

    Flavor
    Sulfurous 51.09%
    Meaty 44.24%
    Onion 40.68%
    Sulfury 31.64%
    Fishy 28.56%
    Alliaceous 27.19%
    Gassy 24.12%
    Glue 23.8%
    Bloody 23.11%
    Garlic 22.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.56 (weak base)

    Molecular weight
    118.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -78.1 °C

    Boiling point

    • 120.00 to 122.00 °C. @ 760.00 mm Hg

    Flash point

    • 16.62 ˚C est.

  • Synonyms

    • Diisopropyl sulfide
    • 625-80-9
    • Isopropyl sulfide
    • Propane, 2,2'-thiobis-
    • 2,2-Thiobispropane
    • 2,4-DIMETHYL-3-THIAPENTANE
    • Isopropyl sulphide
    • 2,2'-thiodipropane
    • 2,2'-Thiobispropane
    • 2-propan-2-ylsulfanylpropane
    • Diisopropyl sulphide
    • 2-(propan-2-ylsulfanyl)propane
    • EINECS 210-911-7
    • NSC 75121
    • 2-(Isopropylsulfanyl)propane
    • 2-(propan-2-ylthio)propane
    • (i-C3H7)2S
    • DTXSID0060808
    • NSC-75121
    • diisopropyl-sulfide
    • di-isopropyl sulfide
    • MFCD00008895
    • Di-iso-propyl sulfane
    • Propane,2'-thiobis-
    • 2,2\'-Thiobispropane
    • FJW5HJJ2ZJ
    • Isopropyl sulfide, 8CI
    • 2,2'-Thiobis-Propane
    • Isopropyl sulfide, 99%
    • 2-propan-2-ylsulanylpropane
    • 2,2'-Thiobispropane, 9CI
    • SCHEMBL265333
    • 2-(Isopropylsulfanyl)propane #
    • DTXCID7043376
    • CHEBI:169455
    • NSC75121
    • STL453666
    • AKOS015897439
    • LS-13226
    • I0175
    • NS00021267
    • D91094
    • EN300-1723044
    • Q63396066

  • Applications

    Diisopropyl sulfide (CAS 625-80-9) is primarily used as a building block and thioether intermediate in organosulfur chemistry, enabling synthesis of sulfur-containing compounds for fine chemicals and potentially pharmaceutical or agrochemical intermediates. In industrial manufacturing, it can be employed as a nonpolar solvent/reagent for organic synthesis tasks that require sulfur functionality. It also serves as a precursor for thioether-containing polymers and coatings where sulfur linkages are desirable. In fragrance-related applications, it may act as a scent-related component or contribute sulfur-associated odor notes in certain formulations, subject to formulation guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 730.43
    methanol 489.54
    isopropanol 656.32
    water 0.55
    ethyl acetate 1238.51
    n-propanol 743.6
    acetone 1211.37
    n-butanol 967.63
    acetonitrile 610.4
    DMF 609.86
    toluene 1089.63
    isobutanol 630.11
    1,4-dioxane 1844.5
    methyl acetate 924.08
    THF 3993.39
    2-butanone 1261.43
    n-pentanol 568.73
    sec-butanol 838.83
    n-hexane 1187.86
    ethylene glycol 85.6
    NMP 1522.67
    cyclohexane 2012.79
    DMSO 676.25
    n-butyl acetate 2259.51
    n-octanol 856.92
    chloroform 2234.17
    n-propyl acetate 804.53
    acetic acid 604.2
    dichloromethane 1569.48
    cyclohexanone 2641.94
    propylene glycol 190.41
    isopropyl acetate 936.64
    DMAc 688.28
    2-ethoxyethanol 485.95
    isopentanol 800.82
    n-heptane 2052.49
    ethyl formate 594.6
    1,2-dichloroethane 1062.57
    n-hexanol 1793.81
    2-methoxyethanol 744.29
    isobutyl acetate 608.48
    tetrachloromethane 854.9
    n-pentyl acetate 1081.86
    transcutol 1548.94
    n-heptanol 791.05
    ethylbenzene 474.46
    MIBK 826.88
    2-propoxyethanol 1448.91
    tert-butanol 995.02
    MTBE 1451.32
    2-butoxyethanol 734.9
    propionic acid 611.21
    o-xylene 635.83
    formic acid 93.72
    diethyl ether 1847.0
    m-xylene 737.51
    p-xylene 610.96
    chlorobenzene 936.21
    dimethyl carbonate 264.23
    n-octane 502.9
    formamide 122.13
    cyclopentanone 2534.24
    2-pentanone 1382.44
    anisole 631.2
    cyclopentyl methyl ether 2536.77
    gamma-butyrolactone 2071.11
    1-methoxy-2-propanol 709.24
    pyridine 1186.49
    3-pentanone 1125.51
    furfural 1145.75
    n-dodecane 247.13
    diethylene glycol 518.2
    diisopropyl ether 918.8
    tert-amyl alcohol 1019.58
    acetylacetone 1045.87
    n-hexadecane 291.28
    acetophenone 523.22
    methyl propionate 809.86
    isopentyl acetate 1755.26
    trichloroethylene 1659.4
    n-nonanol 738.37
    cyclohexanol 1641.84
    benzyl alcohol 364.78
    2-ethylhexanol 1608.7
    isooctanol 653.48
    dipropyl ether 2663.29
    1,2-dichlorobenzene 734.38
    ethyl lactate 273.82
    propylene carbonate 1253.63
    n-methylformamide 344.44
    2-pentanol 871.8
    n-pentane 975.04
    1-propoxy-2-propanol 1640.61
    1-methoxy-2-propyl acetate 1293.51
    2-(2-methoxypropoxy) propanol 538.01
    mesitylene 536.49
    ε-caprolactone 1999.87
    p-cymene 707.62
    epichlorohydrin 1665.91
    1,1,1-trichloroethane 1663.03
    2-aminoethanol 206.62
    morpholine-4-carbaldehyde 1086.34
    sulfolane 2006.02
    2,2,4-trimethylpentane 401.54
    2-methyltetrahydrofuran 3257.25
    n-hexyl acetate 1404.1
    isooctane 343.85
    2-(2-butoxyethoxy)ethanol 777.13
    sec-butyl acetate 660.37
    tert-butyl acetate 1159.97
    decalin 543.26
    glycerin 202.97
    diglyme 1382.41
    acrylic acid 409.01
    isopropyl myristate 655.92
    n-butyric acid 1096.15
    acetyl acetate 767.75
    di(2-ethylhexyl) phthalate 349.64
    ethyl propionate 708.97
    nitromethane 745.55
    1,2-diethoxyethane 1368.57
    benzonitrile 606.91
    trioctyl phosphate 386.82
    1-bromopropane 1296.49
    gamma-valerolactone 1979.14
    n-decanol 528.49
    triethyl phosphate 497.05
    4-methyl-2-pentanol 493.88
    propionitrile 651.44
    vinylene carbonate 840.78
    1,1,2-trichlorotrifluoroethane 833.19
    DMS 568.71
    cumene 344.27
    2-octanol 651.7
    2-hexanone 986.04
    octyl acetate 751.83
    limonene 1546.4
    1,2-dimethoxyethane 1051.64
    ethyl orthosilicate 542.5
    tributyl phosphate 459.5
    diacetone alcohol 869.3
    N,N-dimethylaniline 426.77
    acrylonitrile 511.77
    aniline 743.41
    1,3-propanediol 382.89
    bromobenzene 1056.95
    dibromomethane 1530.52
    1,1,2,2-tetrachloroethane 1505.0
    2-methyl-cyclohexyl acetate 1065.09
    tetrabutyl urea 577.27
    diisobutyl methanol 935.58
    2-phenylethanol 670.32
    styrene 533.81
    dioctyl adipate 609.79
    dimethyl sulfate 347.43
    ethyl butyrate 1355.18
    methyl lactate 293.16
    butyl lactate 633.81
    diethyl carbonate 696.55
    propanediol butyl ether 543.26
    triethyl orthoformate 1039.98
    p-tert-butyltoluene 729.39
    methyl 4-tert-butylbenzoate 646.34
    morpholine 1883.47
    tert-butylamine 864.03
    n-dodecanol 412.3
    dimethoxymethane 686.89
    ethylene carbonate 850.31
    cyrene 456.94
    2-ethoxyethyl acetate 909.26
    2-ethylhexyl acetate 1678.45
    1,2,4-trichlorobenzene 849.58
    4-methylpyridine 1321.88
    dibutyl ether 1647.87
    2,6-dimethyl-4-heptanol 935.58
    DEF 1028.72
    dimethyl isosorbide 1132.9
    tetrachloroethylene 1127.7
    eugenol 447.27
    triacetin 744.04
    span 80 691.14
    1,4-butanediol 152.94
    1,1-dichloroethane 1283.46
    2-methyl-1-pentanol 541.93
    methyl formate 316.99
    2-methyl-1-butanol 808.89
    n-decane 497.2
    butyronitrile 940.51
    3,7-dimethyl-1-octanol 874.37
    1-chlorooctane 991.4
    1-chlorotetradecane 388.68
    n-nonane 578.47
    undecane 333.11
    tert-butylcyclohexane 532.26
    cyclooctane 898.35
    cyclopentanol 1425.35
    tetrahydropyran 3166.0
    tert-amyl methyl ether 1317.0
    2,5,8-trioxanonane 843.41
    1-hexene 1395.91
    2-isopropoxyethanol 447.25
    2,2,2-trifluoroethanol 203.71
    methyl butyrate 900.0

    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