Dihexyl disulfide

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  • Identifiers

    CAS number
    10496-15-8

    Molecular formula
    C12H26S2

    SMILES
    CCCCCCSSCCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 78.2%
    Green 75.31%
    Alliaceous 65.44%
    Onion 62.55%
    Vegetable 61.65%
    Meaty 57.86%
    Savory 53.64%
    Garlic 50.53%
    Roasted 42.43%
    Cooked 39.85%

     

    Flavor
    Sulfurous 38.75%
    Onion 33.5%
    Garlic 29.86%
    Violet-leaf 24.31%
    Skunky 24.22%
    Sulfury 23.96%
    Greasy 23.53%
    Glue 22.83%
    Green 22.8%
    Metallic 22.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    6.65 (neutral)

    Molecular weight
    234.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 145.96 ˚C est.

  • Synonyms

    • di-n-Hexyl disulfide
    • Dihexyl disulfide
    • Dihexyl disulphide
    • n-Hexyl disulfide
    • X5X7DY36KA
    • N-HEXYL DISULPHIDE
    • DISULPHIDE, DIHEXYL
    • NSC-677454
    • DTXSID60146872
    • RefChem:133665
    • DTXCID2069363
    • GJPDBURPGLWRPW-UHFFFAOYSA-N
    • 10496-15-8
    • Hexyl disulfide
    • 1-(Hexyldisulfanyl)hexane
    • Disulfide, dihexyl
    • Di-n-hexyldisulfide
    • MFCD00027300
    • 1,2-dihexyldisulfane
    • NSC677454
    • Disulfide,dihexyl
    • C12H26S2
    • EINECS 234-022-9
    • 1-Hexyldisulfanyl-hexane
    • UNII-X5X7DY36KA
    • 1-(Hexyldisulfanyl)hexane #
    • SCHEMBL114068
    • CHEMBL120086
    • SBB061209
    • AKOS024319274
    • AS-85127
    • SY225524
    • DB-040580
    • CS-0440217
    • NS00023334
    • ST50410317
    • F71204
    • F765574
    • 10496-15-8

  • Applications

    Dihexyl disulfide (CAS 10496-15-8) is primarily used as an odorant and fragrance fixative in the fragrance, cosmetics, and some household-product formulations, contributing to scent profiles in perfumes, personal care products, and cleaners. It is also employed as an intermediate in the synthesis of other sulfur-containing compounds and can serve as a precursor for sulfur-containing polymers or specialized polymer additives. Additionally, its sulfur-containing character may lead to evaluation as a fragrance modulator or processing aid in surface-treatment or cleaning formulations to enhance or stabilize aroma; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 491.24
    methanol 186.99
    isopropanol 649.83
    water 0.0
    ethyl acetate 5324.82
    n-propanol 755.83
    acetone 5011.89
    n-butanol 1028.02
    acetonitrile 1096.53
    DMF 2784.82
    toluene 4392.52
    isobutanol 792.17
    1,4-dioxane 7068.9
    methyl acetate 2814.22
    THF 14090.23
    2-butanone 4556.58
    n-pentanol 787.41
    sec-butanol 958.2
    n-hexane 1650.21
    ethylene glycol 25.82
    NMP 4449.7
    cyclohexane 7219.86
    DMSO 3235.88
    n-butyl acetate 7234.7
    n-octanol 861.63
    chloroform 8793.5
    n-propyl acetate 3767.4
    acetic acid 628.61
    dichloromethane 7991.11
    cyclohexanone 11544.87
    propylene glycol 92.25
    isopropyl acetate 4058.55
    DMAc 2954.47
    2-ethoxyethanol 1004.53
    isopentanol 1258.14
    n-heptane 3117.33
    ethyl formate 1479.43
    1,2-dichloroethane 6891.55
    n-hexanol 1510.58
    2-methoxyethanol 1263.53
    isobutyl acetate 2463.42
    tetrachloromethane 2267.93
    n-pentyl acetate 3628.2
    transcutol 6148.75
    n-heptanol 819.78
    ethylbenzene 1764.35
    MIBK 3271.69
    2-propoxyethanol 1950.53
    tert-butanol 1504.31
    MTBE 4348.11
    2-butoxyethanol 1270.04
    propionic acid 732.74
    o-xylene 2307.6
    formic acid 39.02
    diethyl ether 5571.86
    m-xylene 2329.92
    p-xylene 2413.21
    chlorobenzene 4273.24
    dimethyl carbonate 870.67
    n-octane 797.13
    formamide 121.44
    cyclopentanone 9968.46
    2-pentanone 5311.37
    anisole 2659.98
    cyclopentyl methyl ether 8869.8
    gamma-butyrolactone 6366.99
    1-methoxy-2-propanol 1349.98
    pyridine 6535.96
    3-pentanone 4569.15
    furfural 4139.64
    n-dodecane 298.48
    diethylene glycol 499.3
    diisopropyl ether 2749.73
    tert-amyl alcohol 1512.56
    acetylacetone 4963.46
    n-hexadecane 385.64
    acetophenone 2502.38
    methyl propionate 2871.34
    isopentyl acetate 5803.33
    trichloroethylene 10314.49
    n-nonanol 891.98
    cyclohexanol 2891.32
    benzyl alcohol 1050.14
    2-ethylhexanol 2071.68
    isooctanol 884.38
    dipropyl ether 8176.06
    1,2-dichlorobenzene 3659.99
    ethyl lactate 699.06
    propylene carbonate 3488.12
    n-methylformamide 627.64
    2-pentanol 1178.34
    n-pentane 1206.25
    1-propoxy-2-propanol 2725.73
    1-methoxy-2-propyl acetate 4420.26
    2-(2-methoxypropoxy) propanol 1173.58
    mesitylene 1706.86
    ε-caprolactone 6857.25
    p-cymene 1871.13
    epichlorohydrin 7802.31
    1,1,1-trichloroethane 9041.74
    2-aminoethanol 109.18
    morpholine-4-carbaldehyde 4193.97
    sulfolane 7320.04
    2,2,4-trimethylpentane 597.99
    2-methyltetrahydrofuran 10128.0
    n-hexyl acetate 3302.17
    isooctane 506.09
    2-(2-butoxyethoxy)ethanol 1726.79
    sec-butyl acetate 3053.08
    tert-butyl acetate 4972.32
    decalin 1578.84
    glycerin 131.56
    diglyme 4921.2
    acrylic acid 432.85
    isopropyl myristate 1641.23
    n-butyric acid 2120.24
    acetyl acetate 2930.62
    di(2-ethylhexyl) phthalate 692.76
    ethyl propionate 3387.77
    nitromethane 1859.52
    1,2-diethoxyethane 7192.75
    benzonitrile 2238.09
    trioctyl phosphate 619.27
    1-bromopropane 5720.18
    gamma-valerolactone 8091.55
    n-decanol 644.22
    triethyl phosphate 1756.74
    4-methyl-2-pentanol 826.54
    propionitrile 1510.1
    vinylene carbonate 2462.25
    1,1,2-trichlorotrifluoroethane 3111.17
    DMS 1856.33
    cumene 1073.81
    2-octanol 737.34
    2-hexanone 3686.42
    octyl acetate 1662.7
    limonene 4038.9
    1,2-dimethoxyethane 4385.04
    ethyl orthosilicate 1901.13
    tributyl phosphate 982.41
    diacetone alcohol 2619.37
    N,N-dimethylaniline 1733.6
    acrylonitrile 1312.45
    aniline 2206.13
    1,3-propanediol 320.75
    bromobenzene 6033.25
    dibromomethane 6250.25
    1,1,2,2-tetrachloroethane 9343.75
    2-methyl-cyclohexyl acetate 3178.83
    tetrabutyl urea 1392.38
    diisobutyl methanol 1709.05
    2-phenylethanol 1393.1
    styrene 2492.8
    dioctyl adipate 1842.91
    dimethyl sulfate 1362.2
    ethyl butyrate 5721.61
    methyl lactate 592.37
    butyl lactate 1393.24
    diethyl carbonate 2804.53
    propanediol butyl ether 723.03
    triethyl orthoformate 4191.18
    p-tert-butyltoluene 1836.92
    methyl 4-tert-butylbenzoate 1771.44
    morpholine 6877.39
    tert-butylamine 1434.96
    n-dodecanol 512.96
    dimethoxymethane 2713.42
    ethylene carbonate 2750.88
    cyrene 1089.41
    2-ethoxyethyl acetate 3598.66
    2-ethylhexyl acetate 5433.48
    1,2,4-trichlorobenzene 3803.62
    4-methylpyridine 5973.19
    dibutyl ether 5035.66
    2,6-dimethyl-4-heptanol 1709.05
    DEF 5031.56
    dimethyl isosorbide 3233.2
    tetrachloroethylene 5602.41
    eugenol 1119.36
    triacetin 2479.56
    span 80 1285.37
    1,4-butanediol 124.54
    1,1-dichloroethane 6592.39
    2-methyl-1-pentanol 942.79
    methyl formate 608.2
    2-methyl-1-butanol 1080.15
    n-decane 711.41
    butyronitrile 2332.15
    3,7-dimethyl-1-octanol 1338.02
    1-chlorooctane 1951.48
    1-chlorotetradecane 682.15
    n-nonane 810.17
    undecane 429.16
    tert-butylcyclohexane 1094.56
    cyclooctane 2425.49
    cyclopentanol 2229.47
    tetrahydropyran 12448.09
    tert-amyl methyl ether 3617.04
    2,5,8-trioxanonane 2513.07
    1-hexene 2861.17
    2-isopropoxyethanol 1028.47
    2,2,2-trifluoroethanol 219.08
    methyl butyrate 4329.64

    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