Allyl isobutyl disulfide

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C7H14S2

    SMILES
    CC(C)CSSCC=C

    Retention indicies (RI)

    • DB5: 1286.0

  • Odor profile

    Onion 81.46%
    Sulfurous 75.73%
    Garlic 74.38%
    Alliaceous 68.44%
    Savory 50.7%
    Cooked 45.8%
    Roasted 42.81%
    Pungent 39.73%
    Vegetable 39.04%
    Meaty 38.3%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    162.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point est.
    68.41 ˚C

  • Synonyms

    • Allyl isobutyl disulfide
    • 7-methyl-4,5-dithia-1-octene

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 844.57
    methanol 518.55
    isopropanol 837.9
    water 0.12
    ethyl acetate 1308.09
    n-propanol 849.35
    acetone 2618.77
    n-butanol 1000.19
    acetonitrile 801.61
    DMF 1594.06
    toluene 1704.97
    isobutanol 783.37
    1,4-dioxane 2331.19
    methyl acetate 1102.84
    THF 4849.14
    2-butanone 1930.85
    n-pentanol 649.94
    sec-butanol 841.18
    n-hexane 667.36
    ethylene glycol 112.2
    NMP 1801.52
    cyclohexane 1699.89
    DMSO 2071.31
    n-butyl acetate 1911.49
    n-octanol 631.41
    chloroform 2624.21
    n-propyl acetate 872.86
    acetic acid 561.4
    dichloromethane 2038.55
    cyclohexanone 3683.05
    propylene glycol 244.99
    isopropyl acetate 949.4
    DMAc 1236.58
    2-ethoxyethanol 660.17
    isopentanol 909.48
    n-heptane 909.91
    ethyl formate 612.96
    1,2-dichloroethane 1571.88
    n-hexanol 1349.96
    2-methoxyethanol 970.81
    isobutyl acetate 692.38
    tetrachloromethane 695.73
    n-pentyl acetate 849.07
    transcutol 2183.93
    n-heptanol 533.99
    ethylbenzene 683.54
    MIBK 1141.19
    2-propoxyethanol 1449.37
    tert-butanol 1224.66
    MTBE 1578.09
    2-butoxyethanol 695.4
    propionic acid 586.72
    o-xylene 906.89
    formic acid 76.65
    diethyl ether 1723.13
    m-xylene 1112.47
    p-xylene 804.5
    chlorobenzene 1444.55
    dimethyl carbonate 361.82
    n-octane 262.77
    formamide 129.94
    cyclopentanone 3615.78
    2-pentanone 1934.23
    anisole 917.74
    cyclopentyl methyl ether 2788.11
    gamma-butyrolactone 2344.84
    1-methoxy-2-propanol 970.46
    pyridine 1990.2
    3-pentanone 1403.05
    furfural 1721.41
    n-dodecane 142.69
    diethylene glycol 636.37
    diisopropyl ether 772.79
    tert-amyl alcohol 1010.39
    acetylacetone 1676.05
    n-hexadecane 170.86
    acetophenone 863.82
    methyl propionate 937.86
    isopentyl acetate 1643.86
    trichloroethylene 2668.55
    n-nonanol 527.0
    cyclohexanol 1699.75
    benzyl alcohol 600.35
    2-ethylhexanol 1087.26
    isooctanol 453.47
    dipropyl ether 1801.13
    1,2-dichlorobenzene 1114.74
    ethyl lactate 331.98
    propylene carbonate 1266.72
    n-methylformamide 507.83
    2-pentanol 818.28
    n-pentane 649.37
    1-propoxy-2-propanol 1423.53
    1-methoxy-2-propyl acetate 1354.6
    2-(2-methoxypropoxy) propanol 669.26
    mesitylene 784.1
    ε-caprolactone 2008.67
    p-cymene 653.49
    epichlorohydrin 2170.82
    1,1,1-trichloroethane 2059.23
    2-aminoethanol 244.69
    morpholine-4-carbaldehyde 1629.75
    sulfolane 2852.47
    2,2,4-trimethylpentane 268.46
    2-methyltetrahydrofuran 3348.57
    n-hexyl acetate 1228.66
    isooctane 265.31
    2-(2-butoxyethoxy)ethanol 905.39
    sec-butyl acetate 680.36
    tert-butyl acetate 1268.63
    decalin 456.7
    glycerin 274.12
    diglyme 1664.82
    acrylic acid 426.65
    isopropyl myristate 540.58
    n-butyric acid 1168.83
    acetyl acetate 764.06
    di(2-ethylhexyl) phthalate 387.69
    ethyl propionate 707.29
    nitromethane 1024.28
    1,2-diethoxyethane 1478.13
    benzonitrile 994.87
    trioctyl phosphate 339.27
    1-bromopropane 1546.69
    gamma-valerolactone 2929.15
    n-decanol 392.98
    triethyl phosphate 444.74
    4-methyl-2-pentanol 514.16
    propionitrile 828.55
    vinylene carbonate 953.85
    1,1,2-trichlorotrifluoroethane 1195.51
    DMS 620.04
    cumene 431.51
    2-octanol 449.02
    2-hexanone 1229.42
    octyl acetate 615.28
    limonene 1287.25
    1,2-dimethoxyethane 1530.23
    ethyl orthosilicate 492.82
    tributyl phosphate 419.76
    diacetone alcohol 1088.97
    N,N-dimethylaniline 634.53
    acrylonitrile 779.81
    aniline 1031.08
    1,3-propanediol 455.09
    bromobenzene 1699.33
    dibromomethane 1763.91
    1,1,2,2-tetrachloroethane 2248.52
    2-methyl-cyclohexyl acetate 941.83
    tetrabutyl urea 598.05
    diisobutyl methanol 709.37
    2-phenylethanol 826.38
    styrene 869.24
    dioctyl adipate 654.05
    dimethyl sulfate 587.99
    ethyl butyrate 1143.56
    methyl lactate 389.34
    butyl lactate 591.98
    diethyl carbonate 601.71
    propanediol butyl ether 658.12
    triethyl orthoformate 840.51
    p-tert-butyltoluene 690.15
    methyl 4-tert-butylbenzoate 706.69
    morpholine 2456.26
    tert-butylamine 915.73
    n-dodecanol 324.59
    dimethoxymethane 1177.8
    ethylene carbonate 892.25
    cyrene 674.34
    2-ethoxyethyl acetate 907.46
    2-ethylhexyl acetate 1380.44
    1,2,4-trichlorobenzene 1210.42
    4-methylpyridine 2205.49
    dibutyl ether 1226.64
    2,6-dimethyl-4-heptanol 709.37
    DEF 1390.3
    dimethyl isosorbide 1347.53
    tetrachloroethylene 1454.79
    eugenol 553.66
    triacetin 818.11
    span 80 783.79
    1,4-butanediol 214.91
    1,1-dichloroethane 1823.09
    2-methyl-1-pentanol 599.15
    methyl formate 469.53
    2-methyl-1-butanol 822.9
    n-decane 269.04
    butyronitrile 1133.13
    3,7-dimethyl-1-octanol 692.48
    1-chlorooctane 681.34
    1-chlorotetradecane 293.38
    n-nonane 316.22
    undecane 187.31
    tert-butylcyclohexane 392.2
    cyclooctane 686.26
    cyclopentanol 1389.3
    tetrahydropyran 3778.96
    tert-amyl methyl ether 1190.52
    2,5,8-trioxanonane 1109.99
    1-hexene 1201.84
    2-isopropoxyethanol 583.64
    2,2,2-trifluoroethanol 173.53
    methyl butyrate 1013.03

    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 0.2%