Dipentyl disulphide

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  • Identifiers

    CAS number
    112-51-6

    Molecular formula
    C10H22S2

    SMILES
    CCCCCSSCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 80.89%
    Sulfurous 78.8%
    Alliaceous 71.18%
    Onion 68.04%
    Vegetable 65.82%
    Garlic 56.45%
    Savory 53.49%
    Meaty 53.49%
    Cooked 41.29%
    Roasted 39.43%

     

    Flavor
    Sulfurous 49.69%
    Onion 47.67%
    Garlic 40.53%
    Green 35.94%
    Sulfury 30.56%
    Alliaceous 28.21%
    Metallic 27.62%
    Violet-leaf 25.36%
    Burnt 24.89%
    Greasy 24.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    6.54 (neutral)

    Molecular weight
    206.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 124.7 ˚C est.

  • Synonyms

    • 112-51-6
    • di-n-Amyl disulfide
    • Dipentyl disulphide
    • Diamyl disulfide
    • di-n-amyldisulfide
    • Pentyl disulfide
    • Disulfide, dipentyl
    • 1-(Pentyldisulfanyl)pentane
    • Dipentyl disulfide
    • 6,7-DITHIADODECANE
    • Amyl Disulfide
    • n-Amyl disulfide
    • EINECS 203-979-4
    • MFCD00039964
    • 1,2-dipentyldisulfane
    • 1-pentyldisulfanylpentane
    • AI3-26484
    • Bis(1-pentyl) disulfide
    • 1-pentyldisulfanyl-pentane
    • SCHEMBL87766
    • 1-(Pentyldisulfanyl)pentane #
    • YSQZSPCQDXHJDJ-UHFFFAOYSA-
    • DTXSID90873947
    • EINECS 271-007-6
    • 1-(Pentyldisulfanyl)pentane, AldrichCPR
    • BS-49118
    • DB-041097
    • CS-0373865
    • NS00041415
    • D89599
    • InChI=1/C10H22S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3

  • Applications

    Dipentyl disulfide is an organosulfur compound used primarily as a fragrance ingredient and odorant component in perfumery and flavor applications. It may also act as a fixative or aroma contributor in cosmetics/personal care and household products. It is often employed as an intermediate in the synthesis of other sulfur-containing compounds in industrial manufacturing. In polymers/plastics, it can be used as a processing additive or specialty modifier, and in some cleaning formulations it contributes to fragrance profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 624.68
    methanol 243.86
    isopropanol 768.75
    water 0.01
    ethyl acetate 4954.13
    n-propanol 846.5
    acetone 5033.81
    n-butanol 1113.93
    acetonitrile 1381.48
    DMF 2493.17
    toluene 4984.49
    isobutanol 830.42
    1,4-dioxane 7346.87
    methyl acetate 2797.89
    THF 13887.99
    2-butanone 4313.83
    n-pentanol 857.3
    sec-butanol 1020.43
    n-hexane 1923.44
    ethylene glycol 36.07
    NMP 3808.4
    cyclohexane 7356.71
    DMSO 3319.54
    n-butyl acetate 7135.1
    n-octanol 936.23
    chloroform 8569.39
    n-propyl acetate 3433.61
    acetic acid 733.26
    dichloromethane 8139.99
    cyclohexanone 10663.15
    propylene glycol 120.63
    isopropyl acetate 3535.33
    DMAc 2418.29
    2-ethoxyethanol 1026.25
    isopentanol 1228.67
    n-heptane 3545.27
    ethyl formate 1472.94
    1,2-dichloroethane 6564.49
    n-hexanol 1727.28
    2-methoxyethanol 1300.42
    isobutyl acetate 2114.77
    tetrachloromethane 2139.85
    n-pentyl acetate 3167.34
    transcutol 6035.55
    n-heptanol 834.39
    ethylbenzene 1941.42
    MIBK 2762.8
    2-propoxyethanol 2027.53
    tert-butanol 1581.09
    MTBE 4051.28
    2-butoxyethanol 1225.32
    propionic acid 782.14
    o-xylene 2323.88
    formic acid 43.4
    diethyl ether 5532.86
    m-xylene 2414.32
    p-xylene 2418.59
    chlorobenzene 4429.17
    dimethyl carbonate 763.69
    n-octane 911.29
    formamide 128.85
    cyclopentanone 9404.49
    2-pentanone 4775.62
    anisole 2628.48
    cyclopentyl methyl ether 8335.73
    gamma-butyrolactone 6114.22
    1-methoxy-2-propanol 1352.35
    pyridine 7296.73
    3-pentanone 3890.93
    furfural 4167.42
    n-dodecane 352.11
    diethylene glycol 566.23
    diisopropyl ether 2447.67
    tert-amyl alcohol 1535.02
    acetylacetone 4636.48
    n-hexadecane 455.61
    acetophenone 2337.97
    methyl propionate 2511.35
    isopentyl acetate 5262.33
    trichloroethylene 9714.49
    n-nonanol 923.21
    cyclohexanol 2927.63
    benzyl alcohol 1118.84
    2-ethylhexanol 2144.61
    isooctanol 843.02
    dipropyl ether 7733.85
    1,2-dichlorobenzene 3618.44
    ethyl lactate 642.01
    propylene carbonate 3324.8
    n-methylformamide 632.21
    2-pentanol 1168.26
    n-pentane 1362.28
    1-propoxy-2-propanol 2643.39
    1-methoxy-2-propyl acetate 3954.12
    2-(2-methoxypropoxy) propanol 1162.23
    mesitylene 1666.86
    ε-caprolactone 6446.59
    p-cymene 1842.93
    epichlorohydrin 7402.07
    1,1,1-trichloroethane 8322.88
    2-aminoethanol 134.79
    morpholine-4-carbaldehyde 3819.95
    sulfolane 6772.05
    2,2,4-trimethylpentane 582.56
    2-methyltetrahydrofuran 10007.88
    n-hexyl acetate 3079.79
    isooctane 535.59
    2-(2-butoxyethoxy)ethanol 1715.97
    sec-butyl acetate 2602.65
    tert-butyl acetate 4150.16
    decalin 1597.3
    glycerin 159.03
    diglyme 4472.29
    acrylic acid 486.87
    isopropyl myristate 1509.3
    n-butyric acid 2089.81
    acetyl acetate 2675.32
    di(2-ethylhexyl) phthalate 681.88
    ethyl propionate 2976.52
    nitromethane 1912.04
    1,2-diethoxyethane 6868.4
    benzonitrile 2486.05
    trioctyl phosphate 588.76
    1-bromopropane 5738.15
    gamma-valerolactone 7449.75
    n-decanol 681.58
    triethyl phosphate 1524.46
    4-methyl-2-pentanol 804.03
    propionitrile 1659.3
    vinylene carbonate 2403.19
    1,1,2-trichlorotrifluoroethane 2912.88
    DMS 1700.29
    cumene 1105.94
    2-octanol 740.43
    2-hexanone 3459.66
    octyl acetate 1568.79
    limonene 3917.41
    1,2-dimethoxyethane 4290.31
    ethyl orthosilicate 1675.64
    tributyl phosphate 939.33
    diacetone alcohol 2270.2
    N,N-dimethylaniline 1630.82
    acrylonitrile 1478.49
    aniline 2354.55
    1,3-propanediol 361.8
    bromobenzene 6285.05
    dibromomethane 6546.26
    1,1,2,2-tetrachloroethane 8650.09
    2-methyl-cyclohexyl acetate 2859.09
    tetrabutyl urea 1291.32
    diisobutyl methanol 1713.92
    2-phenylethanol 1505.77
    styrene 2674.23
    dioctyl adipate 1696.8
    dimethyl sulfate 1155.2
    ethyl butyrate 5207.24
    methyl lactate 552.84
    butyl lactate 1274.2
    diethyl carbonate 2552.27
    propanediol butyl ether 744.92
    triethyl orthoformate 3670.83
    p-tert-butyltoluene 1840.25
    methyl 4-tert-butylbenzoate 1523.6
    morpholine 6972.64
    tert-butylamine 1512.57
    n-dodecanol 546.23
    dimethoxymethane 2480.99
    ethylene carbonate 2604.59
    cyrene 1025.02
    2-ethoxyethyl acetate 3220.21
    2-ethylhexyl acetate 4851.15
    1,2,4-trichlorobenzene 3658.53
    4-methylpyridine 6192.29
    dibutyl ether 5019.09
    2,6-dimethyl-4-heptanol 1713.92
    DEF 4176.63
    dimethyl isosorbide 3003.93
    tetrachloroethylene 5089.5
    eugenol 1034.65
    triacetin 2183.24
    span 80 1332.11
    1,4-butanediol 149.09
    1,1-dichloroethane 6221.32
    2-methyl-1-pentanol 927.32
    methyl formate 631.67
    2-methyl-1-butanol 1049.51
    n-decane 832.05
    butyronitrile 2632.98
    3,7-dimethyl-1-octanol 1418.21
    1-chlorooctane 2012.54
    1-chlorotetradecane 722.45
    n-nonane 969.98
    undecane 503.26
    tert-butylcyclohexane 1095.2
    cyclooctane 2519.31
    cyclopentanol 2297.07
    tetrahydropyran 12408.13
    tert-amyl methyl ether 3219.67
    2,5,8-trioxanonane 2460.7
    1-hexene 3332.47
    2-isopropoxyethanol 981.8
    2,2,2-trifluoroethanol 209.96
    methyl butyrate 3877.05

    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