Diisoamyl disulfide

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  • Identifiers

    CAS number
    2051-04-9

    Molecular formula
    C10H22S2

    SMILES
    CC(C)CCSSCCC(C)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1480.0

  • Odor profile

    Sulfurous 83.88%
    Green 71.29%
    Onion 68.89%
    Alliaceous 65.97%
    Vegetable 64.77%
    Meaty 62.96%
    Savory 58.01%
    Garlic 55.31%
    Roasted 42.58%
    Cooked 40.86%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    6.7 (neutral)

    Molecular weight
    206.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point est.
    109.36 ˚C

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Diisoamyl disulfide
    • 2051-04-9
    • 1,2-Diisopentyldisulfane
    • Isoamyl disulfide
    • Bis(3-methylbutyl) disulfide
    • Isopentyl disulfide
    • DISULFIDE, BIS(3-METHYLBUTYL)
    • 3-methyl-1-(3-methylbutyldisulfanyl)butane
    • Diisopentyl disulfide
    • Diisopentyl disulphide
    • NSC-677439
    • 2,9-Dimethyl-5,6-dithiadecane
    • 7309LNT30N
    • NSC-2362
    • UNII-7309LNT30N
    • FEMA NO. 4575
    • 5,6-Dithia-2,9-dimethyldecane
    • Bis(3-methyl-1-butyl) disulfide
    • DTXSID90174507
    • NSC 2362
    • EINECS 218-113-0
    • NSC677439
    • MFCD00026520
    • CHEMBL120687
    • SCHEMBL2124275
    • DTXCID4096998
    • NSC2362
    • AKOS015897558
    • 1-(Isopentyldisulfanyl)-3-methylbutane
    • 1-(isopentyldisulfanyl)-3-methyl-butane
    • 1-(Isopentyldisulfanyl)-3-methylbutane #
    • AS-84955
    • CS-0333669
    • I0085
    • NS00047023
    • 3-Methyl-1-(3-methyl-butyldisulfanyl)-butane
    • D91077
    • Q27266113

  • Applications

    Diisoamyl disulfide (CAS 2051-04-9) is a pale-yellow liquid with a characteristic garlic-onion odor that finds multiple uses: in the flavour and fragrance industry it recreates and intensifies onion, garlic, grilled meat, potato chips, instant soups, sauces and savoury snacks while providing long-lasting green-sulfur notes to perfumes and household cleaners; in rubber and plastics processing it acts as a chain-transfer agent and co-vulcanising sulfur donor, controlling molecular weight and enhancing tensile strength, elasticity and ageing resistance of natural rubber, SBR, NBR and neoprene; in mining chemistry it serves as a selective flotation collector for copper-lead-zinc ores and as a corrosion inhibitor in oil-and-gas drilling fluids; additionally it is employed as an intermediate for higher sulfide synthesis, extreme-pressure lubricant additives, fuel odorants and sulfur-donor reagents in pharmaceutical and agrochemical manufacturing, thus meeting both technical performance and food-safety requirements.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 292.3
    methanol 101.79
    isopropanol 403.75
    water 0.02
    ethyl acetate 1484.36
    n-propanol 408.78
    acetone 1575.14
    n-butanol 554.28
    acetonitrile 452.69
    DMF 1014.99
    toluene 1960.09
    isobutanol 449.83
    1,4-dioxane 2350.29
    methyl acetate 1046.92
    THF 5293.5
    2-butanone 1552.23
    n-pentanol 430.65
    sec-butanol 550.4
    n-hexane 914.09
    ethylene glycol 28.74
    NMP 1685.89
    cyclohexane 2499.8
    DMSO 977.68
    n-butyl acetate 2416.21
    n-octanol 659.07
    chloroform 3255.08
    n-propyl acetate 1141.32
    acetic acid 333.58
    dichloromethane 2412.27
    cyclohexanone 3800.18
    propylene glycol 106.6
    isopropyl acetate 1289.4
    DMAc 1055.2
    2-ethoxyethanol 466.08
    isopentanol 645.43
    n-heptane 1654.74
    ethyl formate 569.71
    1,2-dichloroethane 1847.85
    n-hexanol 1036.92
    2-methoxyethanol 573.98
    isobutyl acetate 938.21
    tetrachloromethane 814.3
    n-pentyl acetate 1180.24
    transcutol 2354.93
    n-heptanol 546.38
    ethylbenzene 936.76
    MIBK 1134.44
    2-propoxyethanol 1110.08
    tert-butanol 785.75
    MTBE 1608.66
    2-butoxyethanol 680.62
    propionic acid 409.57
    o-xylene 1115.81
    formic acid 25.68
    diethyl ether 1552.28
    m-xylene 1218.08
    p-xylene 1261.84
    chlorobenzene 1729.2
    dimethyl carbonate 355.19
    n-octane 491.8
    formamide 59.53
    cyclopentanone 3725.04
    2-pentanone 1658.51
    anisole 1180.99
    cyclopentyl methyl ether 3452.93
    gamma-butyrolactone 2582.5
    1-methoxy-2-propanol 709.3
    pyridine 2250.33
    3-pentanone 1416.66
    furfural 1745.67
    n-dodecane 235.01
    diethylene glycol 349.05
    diisopropyl ether 953.27
    tert-amyl alcohol 828.62
    acetylacetone 1740.75
    n-hexadecane 292.53
    acetophenone 1088.44
    methyl propionate 1023.66
    isopentyl acetate 2141.95
    trichloroethylene 3281.5
    n-nonanol 621.54
    cyclohexanol 1422.86
    benzyl alcohol 631.25
    2-ethylhexanol 1175.62
    isooctanol 513.73
    dipropyl ether 2825.37
    1,2-dichlorobenzene 1398.68
    ethyl lactate 374.93
    propylene carbonate 1598.23
    n-methylformamide 279.08
    2-pentanol 630.67
    n-pentane 671.42
    1-propoxy-2-propanol 1496.24
    1-methoxy-2-propyl acetate 1751.76
    2-(2-methoxypropoxy) propanol 691.54
    mesitylene 894.8
    ε-caprolactone 2470.81
    p-cymene 939.81
    epichlorohydrin 2687.53
    1,1,1-trichloroethane 2623.2
    2-aminoethanol 90.61
    morpholine-4-carbaldehyde 1498.23
    sulfolane 2859.26
    2,2,4-trimethylpentane 345.76
    2-methyltetrahydrofuran 3841.22
    n-hexyl acetate 1517.06
    isooctane 301.64
    2-(2-butoxyethoxy)ethanol 935.0
    sec-butyl acetate 1010.6
    tert-butyl acetate 1724.93
    decalin 748.32
    glycerin 125.07
    diglyme 1959.76
    acrylic acid 279.41
    isopropyl myristate 790.95
    n-butyric acid 972.66
    acetyl acetate 988.57
    di(2-ethylhexyl) phthalate 423.99
    ethyl propionate 1033.83
    nitromethane 614.69
    1,2-diethoxyethane 1985.53
    benzonitrile 1109.27
    trioctyl phosphate 383.58
    1-bromopropane 1796.89
    gamma-valerolactone 3133.67
    n-decanol 466.87
    triethyl phosphate 679.89
    4-methyl-2-pentanol 454.39
    propionitrile 629.27
    vinylene carbonate 1033.26
    1,1,2-trichlorotrifluoroethane 1273.87
    DMS 765.98
    cumene 608.16
    2-octanol 478.01
    2-hexanone 1279.63
    octyl acetate 833.65
    limonene 1815.15
    1,2-dimethoxyethane 1513.68
    ethyl orthosilicate 737.14
    tributyl phosphate 504.87
    diacetone alcohol 1094.03
    N,N-dimethylaniline 809.54
    acrylonitrile 541.62
    aniline 1146.64
    1,3-propanediol 209.71
    bromobenzene 2260.51
    dibromomethane 2050.49
    1,1,2,2-tetrachloroethane 3130.75
    2-methyl-cyclohexyl acetate 1357.86
    tetrabutyl urea 677.99
    diisobutyl methanol 945.53
    2-phenylethanol 867.6
    styrene 1150.46
    dioctyl adipate 863.37
    dimethyl sulfate 525.68
    ethyl butyrate 1825.01
    methyl lactate 338.39
    butyl lactate 711.59
    diethyl carbonate 951.94
    propanediol butyl ether 556.82
    triethyl orthoformate 1394.82
    p-tert-butyltoluene 1002.06
    methyl 4-tert-butylbenzoate 883.34
    morpholine 2347.12
    tert-butylamine 718.87
    n-dodecanol 376.19
    dimethoxymethane 915.44
    ethylene carbonate 1040.52
    cyrene 674.53
    2-ethoxyethyl acetate 1199.59
    2-ethylhexyl acetate 1926.24
    1,2,4-trichlorobenzene 1648.21
    4-methylpyridine 2360.65
    dibutyl ether 1980.03
    2,6-dimethyl-4-heptanol 945.53
    DEF 1356.77
    dimethyl isosorbide 1547.71
    tetrachloroethylene 1760.31
    eugenol 611.61
    triacetin 1100.54
    span 80 808.41
    1,4-butanediol 103.7
    1,1-dichloroethane 2066.71
    2-methyl-1-pentanol 483.74
    methyl formate 279.33
    2-methyl-1-butanol 560.14
    n-decane 481.73
    butyronitrile 903.62
    3,7-dimethyl-1-octanol 821.81
    1-chlorooctane 1096.2
    1-chlorotetradecane 411.93
    n-nonane 553.96
    undecane 320.64
    tert-butylcyclohexane 596.23
    cyclooctane 1122.46
    cyclopentanol 1288.69
    tetrahydropyran 4072.0
    tert-amyl methyl ether 1363.42
    2,5,8-trioxanonane 1114.4
    1-hexene 1330.25
    2-isopropoxyethanol 512.7
    2,2,2-trifluoroethanol 117.04
    methyl butyrate 1321.33

    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

Botanical

Name CAS Botanical Proportion
Adenocalymma alliaceum (Brazil) 1b flower Adenocalymma alliaceum Miers, fam. Bignoniaceae 0.3%