Allyl isobutyl sulfide

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C7H14S

    SMILES
    CC(C)CSCC=C

    Retention indicies (RI)

    • DB5: 1063.0

  • Odor profile

    Onion 72.59%
    Sulfurous 71.34%
    Garlic 65.83%
    Alliaceous 58.13%
    Vegetable 45.31%
    Meaty 44.74%
    Savory 43.21%
    Cooked 38.63%
    Pungent 36.26%
    Radish 35.79%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    130.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    157°C

    Flash point est.
    38.82 ˚C

  • Synonyms

    • Allyl isobutyl sulfide
    • SCHEMBL3262113
    • PKMCIJWWZAHYQG-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 394.36
    methanol 209.33
    isopropanol 367.79
    water 0.04
    ethyl acetate 401.41
    n-propanol 380.69
    acetone 604.97
    n-butanol 459.16
    acetonitrile 218.13
    DMF 347.96
    toluene 420.47
    isobutanol 320.7
    1,4-dioxane 896.89
    methyl acetate 297.76
    THF 2182.02
    2-butanone 548.37
    n-pentanol 310.59
    sec-butanol 373.73
    n-hexane 333.96
    ethylene glycol 30.38
    NMP 498.11
    cyclohexane 749.12
    DMSO 560.88
    n-butyl acetate 1046.42
    n-octanol 326.93
    chloroform 830.66
    n-propyl acetate 323.7
    acetic acid 203.35
    dichloromethane 696.86
    cyclohexanone 1119.73
    propylene glycol 78.56
    isopropyl acetate 297.87
    DMAc 269.41
    2-ethoxyethanol 235.35
    isopentanol 388.83
    n-heptane 940.94
    ethyl formate 212.73
    1,2-dichloroethane 476.91
    n-hexanol 973.33
    2-methoxyethanol 325.85
    isobutyl acetate 245.75
    tetrachloromethane 230.85
    n-pentyl acetate 357.42
    transcutol 870.18
    n-heptanol 320.09
    ethylbenzene 206.86
    MIBK 352.57
    2-propoxyethanol 699.93
    tert-butanol 531.66
    MTBE 529.41
    2-butoxyethanol 303.49
    propionic acid 192.16
    o-xylene 255.28
    formic acid 22.12
    diethyl ether 634.71
    m-xylene 305.77
    p-xylene 251.8
    chlorobenzene 369.77
    dimethyl carbonate 74.37
    n-octane 178.44
    formamide 34.01
    cyclopentanone 1057.47
    2-pentanone 548.98
    anisole 261.97
    cyclopentyl methyl ether 945.04
    gamma-butyrolactone 718.68
    1-methoxy-2-propanol 319.9
    pyridine 599.72
    3-pentanone 369.24
    furfural 445.17
    n-dodecane 85.39
    diethylene glycol 239.86
    diisopropyl ether 269.27
    tert-amyl alcohol 395.66
    acetylacetone 420.64
    n-hexadecane 99.86
    acetophenone 233.32
    methyl propionate 250.73
    isopentyl acetate 764.98
    trichloroethylene 699.43
    n-nonanol 281.83
    cyclohexanol 651.77
    benzyl alcohol 180.08
    2-ethylhexanol 714.83
    isooctanol 245.67
    dipropyl ether 1176.16
    1,2-dichlorobenzene 287.26
    ethyl lactate 109.69
    propylene carbonate 408.15
    n-methylformamide 128.41
    2-pentanol 346.16
    n-pentane 320.66
    1-propoxy-2-propanol 756.35
    1-methoxy-2-propyl acetate 544.01
    2-(2-methoxypropoxy) propanol 293.84
    mesitylene 218.86
    ε-caprolactone 707.53
    p-cymene 337.09
    epichlorohydrin 718.74
    1,1,1-trichloroethane 586.05
    2-aminoethanol 88.17
    morpholine-4-carbaldehyde 472.69
    sulfolane 849.66
    2,2,4-trimethylpentane 109.03
    2-methyltetrahydrofuran 1450.66
    n-hexyl acetate 478.34
    isooctane 106.46
    2-(2-butoxyethoxy)ethanol 384.97
    sec-butyl acetate 238.18
    tert-butyl acetate 369.89
    decalin 189.66
    glycerin 78.12
    diglyme 685.81
    acrylic acid 113.55
    isopropyl myristate 242.79
    n-butyric acid 414.2
    acetyl acetate 201.01
    di(2-ethylhexyl) phthalate 172.11
    ethyl propionate 227.35
    nitromethane 246.43
    1,2-diethoxyethane 687.38
    benzonitrile 291.36
    trioctyl phosphate 155.58
    1-bromopropane 616.74
    gamma-valerolactone 881.88
    n-decanol 209.99
    triethyl phosphate 198.17
    4-methyl-2-pentanol 212.53
    propionitrile 275.22
    vinylene carbonate 269.02
    1,1,2-trichlorotrifluoroethane 314.58
    DMS 192.1
    cumene 144.95
    2-octanol 233.09
    2-hexanone 428.3
    octyl acetate 276.19
    limonene 711.8
    1,2-dimethoxyethane 567.44
    ethyl orthosilicate 217.07
    tributyl phosphate 188.61
    diacetone alcohol 356.3
    N,N-dimethylaniline 180.24
    acrylonitrile 211.79
    aniline 278.7
    1,3-propanediol 168.62
    bromobenzene 424.99
    dibromomethane 662.92
    1,1,2,2-tetrachloroethane 585.13
    2-methyl-cyclohexyl acetate 457.81
    tetrabutyl urea 267.3
    diisobutyl methanol 407.93
    2-phenylethanol 341.71
    styrene 239.63
    dioctyl adipate 289.83
    dimethyl sulfate 106.09
    ethyl butyrate 595.18
    methyl lactate 100.59
    butyl lactate 243.88
    diethyl carbonate 284.82
    propanediol butyl ether 247.75
    triethyl orthoformate 431.94
    p-tert-butyltoluene 329.2
    methyl 4-tert-butylbenzoate 242.12
    morpholine 963.11
    tert-butylamine 430.11
    n-dodecanol 169.65
    dimethoxymethane 327.11
    ethylene carbonate 275.11
    cyrene 233.42
    2-ethoxyethyl acetate 325.22
    2-ethylhexyl acetate 681.15
    1,2,4-trichlorobenzene 310.88
    4-methylpyridine 589.26
    dibutyl ether 649.94
    2,6-dimethyl-4-heptanol 407.93
    DEF 399.2
    dimethyl isosorbide 576.81
    tetrachloroethylene 377.48
    eugenol 207.07
    triacetin 290.03
    span 80 368.38
    1,4-butanediol 73.14
    1,1-dichloroethane 540.71
    2-methyl-1-pentanol 270.55
    methyl formate 105.1
    2-methyl-1-butanol 345.25
    n-decane 166.02
    butyronitrile 472.06
    3,7-dimethyl-1-octanol 334.53
    1-chlorooctane 336.54
    1-chlorotetradecane 137.67
    n-nonane 196.4
    undecane 112.6
    tert-butylcyclohexane 164.5
    cyclooctane 292.13
    cyclopentanol 596.0
    tetrahydropyran 1562.78
    tert-amyl methyl ether 423.45
    2,5,8-trioxanonane 462.03
    1-hexene 569.44
    2-isopropoxyethanol 217.33
    2,2,2-trifluoroethanol 39.17
    methyl butyrate 328.61

    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 2.8%