Diamyl sulfide

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  • Identifiers

    CAS number
    872-10-6

    Molecular formula
    C10H22S

    SMILES
    CCCCCSCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 87.41%
    Sulfurous 79.06%
    Vegetable 72.76%
    Alliaceous 66.53%
    Meaty 59.37%
    Onion 57.08%
    Savory 51.96%
    Tropical 45.91%
    Garlic 45.44%
    Roasted 38.65%

     

    Flavor
    Sulfurous 42.36%
    Green 40.75%
    Onion 38.31%
    Garlic 32.58%
    Herbal 30.44%
    Burnt 28.61%
    Sulfury 28.1%
    Metallic 27.57%
    Violet-leaf 27.08%
    Skunky 25.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.11 (neutral)

    Molecular weight
    174.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    226°C

    Flash point

    • 94.03 ˚C est.
    • 185 °F (NFPA, 2010)

  • Synonyms

    • Diamyl sulfide
    • 872-10-6
    • Amyl sulfide
    • Pentyl sulfide
    • n-Amyl sulfide
    • Pentane, 1,1'-thiobis-
    • Dipentyl sulphide
    • Di-n-pentyl sulfide
    • Dipentyl sulfide
    • dipentylsulfane
    • 6-Thiaundecane
    • 1-pentylsulfanylpentane
    • DTXSID8042266
    • 61XJN3644R
    • DIPENTYL THIOETHER
    • EINECS 212-820-8
    • AI3-01368
    • DTXCID6022266
    • PENTANE, 1-(PENTYLTHIO)-
    • 1-(Pentylsulfanyl)pentane
    • Diamylsulfid
    • Diamyl sulphide
    • UNII-61XJN3644R
    • di-n-Amyl sulfide
    • MFCD00027275
    • 1,1'-Thiobispentane
    • di(1-pentyl) sulfide
    • 1-(Pentylsulfanyl)pentane #
    • SCHEMBL226036
    • CHEMBL3184537
    • JOZDADPMWLVEJK-UHFFFAOYSA-
    • Tox21_301954
    • AKOS006228806
    • NCGC00255753-01
    • AS-88362
    • CAS-872-10-6
    • DB-056982
    • A0673
    • CS-0361300
    • NS00022852
    • D88303
    • Q27263394
    • InChI=1/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3

  • Applications

    Diamyl sulfide (CAS 872-10-6) is primarily used as a low-polarity solvent and as an organic synthesis intermediate in chemical manufacturing. It may serve as a processing aid in coatings, inks, and polymer formulations due to its solvency and compatibility with hydrocarbon systems. In fragrance and perfumery, it may be employed as an odorant or fixative to influence sulfurous notes and the stability of blends. It can function as a chemical intermediate for the preparation of sulfur-containing compounds or as a specialized solvent in purification or extraction steps. It may also appear in niche cleaning formulations as a solvent component under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1635.83
    methanol 601.95
    isopropanol 2193.88
    water 0.01
    ethyl acetate 6180.09
    n-propanol 2188.96
    acetone 7049.26
    n-butanol 2973.26
    acetonitrile 2032.63
    DMF 2732.23
    toluene 5422.95
    isobutanol 2071.96
    1,4-dioxane 8913.68
    methyl acetate 3527.88
    THF 18171.77
    2-butanone 6146.2
    n-pentanol 2162.02
    sec-butanol 2675.76
    n-hexane 6136.79
    ethylene glycol 74.34
    NMP 3673.14
    cyclohexane 14132.96
    DMSO 4461.27
    n-butyl acetate 13047.01
    n-octanol 1998.62
    chloroform 10170.34
    n-propyl acetate 5077.79
    acetic acid 1131.2
    dichloromethane 9452.45
    cyclohexanone 13363.35
    propylene glycol 252.49
    isopropyl acetate 4682.59
    DMAc 2309.6
    2-ethoxyethanol 1749.49
    isopentanol 3141.81
    n-heptane 10914.72
    ethyl formate 2037.3
    1,2-dichloroethane 7925.17
    n-hexanol 5082.22
    2-methoxyethanol 2072.14
    isobutyl acetate 3140.54
    tetrachloromethane 2998.9
    n-pentyl acetate 4727.97
    transcutol 7912.92
    n-heptanol 2072.48
    ethylbenzene 2482.46
    MIBK 4178.21
    2-propoxyethanol 4039.55
    tert-butanol 4128.67
    MTBE 7702.07
    2-butoxyethanol 2294.32
    propionic acid 1303.24
    o-xylene 2717.37
    formic acid 56.17
    diethyl ether 10016.67
    m-xylene 2797.9
    p-xylene 3036.1
    chlorobenzene 4491.62
    dimethyl carbonate 730.34
    n-octane 2422.69
    formamide 140.71
    cyclopentanone 10602.78
    2-pentanone 7281.8
    anisole 2767.96
    cyclopentyl methyl ether 11067.62
    gamma-butyrolactone 6737.51
    1-methoxy-2-propanol 2263.93
    pyridine 7911.17
    3-pentanone 4998.49
    furfural 3962.83
    n-dodecane 841.34
    diethylene glycol 988.39
    diisopropyl ether 4350.57
    tert-amyl alcohol 3564.83
    acetylacetone 5154.55
    n-hexadecane 1052.45
    acetophenone 2318.76
    methyl propionate 3014.8
    isopentyl acetate 8471.48
    trichloroethylene 9938.53
    n-nonanol 1884.88
    cyclohexanol 5281.11
    benzyl alcohol 1442.86
    2-ethylhexanol 5310.93
    isooctanol 1986.28
    dipropyl ether 16943.48
    1,2-dichlorobenzene 3480.02
    ethyl lactate 870.86
    propylene carbonate 3794.8
    n-methylformamide 782.31
    2-pentanol 3105.64
    n-pentane 4118.77
    1-propoxy-2-propanol 5429.24
    1-methoxy-2-propyl acetate 4910.65
    2-(2-methoxypropoxy) propanol 1472.76
    mesitylene 2017.64
    ε-caprolactone 7800.6
    p-cymene 2804.87
    epichlorohydrin 7899.47
    1,1,1-trichloroethane 10137.33
    2-aminoethanol 289.92
    morpholine-4-carbaldehyde 3713.68
    sulfolane 7177.25
    2,2,4-trimethylpentane 1303.61
    2-methyltetrahydrofuran 14642.08
    n-hexyl acetate 4630.26
    isooctane 1198.47
    2-(2-butoxyethoxy)ethanol 2411.54
    sec-butyl acetate 3587.52
    tert-butyl acetate 5461.72
    decalin 2759.23
    glycerin 265.07
    diglyme 5910.33
    acrylic acid 702.6
    isopropyl myristate 2180.9
    n-butyric acid 3662.36
    acetyl acetate 2738.89
    di(2-ethylhexyl) phthalate 883.06
    ethyl propionate 3770.44
    nitromethane 2098.43
    1,2-diethoxyethane 9979.0
    benzonitrile 2862.52
    trioctyl phosphate 914.81
    1-bromopropane 9900.08
    gamma-valerolactone 7904.98
    n-decanol 1372.88
    triethyl phosphate 1940.02
    4-methyl-2-pentanol 1837.66
    propionitrile 2904.11
    vinylene carbonate 2381.93
    1,1,2-trichlorotrifluoroethane 3137.85
    DMS 1733.55
    cumene 1513.19
    2-octanol 1759.61
    2-hexanone 5732.1
    octyl acetate 2211.58
    limonene 6617.2
    1,2-dimethoxyethane 6258.15
    ethyl orthosilicate 2297.3
    tributyl phosphate 1333.47
    diacetone alcohol 3126.47
    N,N-dimethylaniline 1869.29
    acrylonitrile 2074.54
    aniline 2905.69
    1,3-propanediol 740.9
    bromobenzene 6030.5
    dibromomethane 9034.52
    1,1,2,2-tetrachloroethane 9515.38
    2-methyl-cyclohexyl acetate 3880.91
    tetrabutyl urea 1827.38
    diisobutyl methanol 3677.29
    2-phenylethanol 2170.23
    styrene 3271.92
    dioctyl adipate 2158.87
    dimethyl sulfate 1081.09
    ethyl butyrate 8362.2
    methyl lactate 666.14
    butyl lactate 2012.27
    diethyl carbonate 3551.81
    propanediol butyl ether 1222.31
    triethyl orthoformate 5444.75
    p-tert-butyltoluene 2790.84
    methyl 4-tert-butylbenzoate 1751.6
    morpholine 9287.76
    tert-butylamine 4214.64
    n-dodecanol 1119.4
    dimethoxymethane 2994.85
    ethylene carbonate 2775.0
    cyrene 1114.43
    2-ethoxyethyl acetate 3609.56
    2-ethylhexyl acetate 7747.12
    1,2,4-trichlorobenzene 3442.28
    4-methylpyridine 6921.39
    dibutyl ether 9720.2
    2,6-dimethyl-4-heptanol 3677.29
    DEF 5104.29
    dimethyl isosorbide 3171.37
    tetrachloroethylene 5716.91
    eugenol 1218.49
    triacetin 2330.78
    span 80 1913.33
    1,4-butanediol 289.76
    1,1-dichloroethane 8326.55
    2-methyl-1-pentanol 2127.24
    methyl formate 705.6
    2-methyl-1-butanol 2529.06
    n-decane 1970.89
    butyronitrile 5155.15
    3,7-dimethyl-1-octanol 2756.59
    1-chlorooctane 3804.28
    1-chlorotetradecane 1273.03
    n-nonane 2479.51
    undecane 1210.65
    tert-butylcyclohexane 2175.28
    cyclooctane 4494.56
    cyclopentanol 4234.37
    tetrahydropyran 19335.14
    tert-amyl methyl ether 5304.47
    2,5,8-trioxanonane 2951.19
    1-hexene 8671.69
    2-isopropoxyethanol 1727.86
    2,2,2-trifluoroethanol 234.88
    methyl butyrate 5292.54

    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