Allyl 1-propenyl disulfide

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  • Identifiers

    CAS number
    33368-82-0

    Molecular formula
    C6H10S2

    SMILES
    C/C=C/SSCC=C

  • Odor profile

    Onion 87.49%
    Garlic 83.87%
    Sulfurous 76.35%
    Alliaceous 68.14%
    Pungent 55.79%
    Savory 49.05%
    Cooked 47.92%
    Roasted 45.65%
    Radish 34.33%
    Metallic 30.35%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    146.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    196°C

    Flash point est.
    66.11 ˚C

  • Synonyms

    • Allyl prop-1-enyl disulfide
    • allyl propenyl disulfide
    • Disulfide, allyl propenyl
    • 2-Propenyl 1-propenyl disulfide
    • D5HZ9XV5EI
    • allyl 1-propenyl disulfide
    • Fema No. 4823
    • 1-Propenyl 2-propenyl disulfide
    • Disulfide, 1-propenyl 2-propenyl
    • 33368-82-0
    • UNII-D5HZ9XV5EI
    • 122156-02-9
    • (E)-1-propenyl allyl disulfide
    • Allyl (E)-1-Propenyl disulfide
    • allyl trans-1-propenyl disulfide
    • Disulfide,1-propenyl 2-propenyl
    • allyl (e)-prop-1-enyl-disulfide
    • DTXSID401294515
    • (E)-2-Propenyl-1-propenyl disulfide
    • Disulfide, (1E)-1-propenyl 2-propenyl
    • Disulfide, 1-propenyl 2-propenyl, (E)-
    • (E)-1-Allyl-2-(prop-1-en-1-yl)disulfane
    • Disulfide, (1E)-1-propen-1-yl 2-propen-1-yl
    • Tetrahydro-2-furanylmethyl 3-(trifluoromethyl)benzoate

  • Applications

    Allyl 1-propenyl disulfide (CAS 33368-82-0) is used primarily as a flavor ingredient to impart characteristic onion/garlic notes in seasonings, sauces, soups, snacks, ready-to-eat foods, and savory bases, benefiting from strong odor potency and better thermal stability than native thiosulfinates; in flavor analysis and quality control it serves as a marker/reference standard to identify, quantify, and authenticate Allium essential oils by GC-MS/GC-O and to monitor flavor changes during processing; in research it is employed as a model disulfide for reactivity studies (thiol–disulfide exchange, reductive cleavage to the corresponding thiols) and as a sulfurous tone builder in flavor formulation, and it has been investigated for the sensory and biological properties typical of allyl disulfides.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 526.94
    methanol 356.15
    isopropanol 471.61
    water 0.09
    ethyl acetate 1100.35
    n-propanol 495.73
    acetone 2060.88
    n-butanol 573.01
    acetonitrile 813.35
    DMF 1786.02
    toluene 1527.9
    isobutanol 421.12
    1,4-dioxane 2374.58
    methyl acetate 967.07
    THF 3773.42
    2-butanone 1440.34
    n-pentanol 398.58
    sec-butanol 489.12
    n-hexane 330.76
    ethylene glycol 86.12
    NMP 1983.46
    cyclohexane 1227.36
    DMSO 2337.53
    n-butyl acetate 1443.39
    n-octanol 350.27
    chloroform 2179.98
    n-propyl acetate 711.21
    acetic acid 493.86
    dichloromethane 1985.77
    cyclohexanone 3029.41
    propylene glycol 158.69
    isopropyl acetate 682.22
    DMAc 1307.44
    2-ethoxyethanol 511.11
    isopentanol 490.73
    n-heptane 558.84
    ethyl formate 549.3
    1,2-dichloroethane 1416.97
    n-hexanol 785.54
    2-methoxyethanol 809.18
    isobutyl acetate 472.14
    tetrachloromethane 545.65
    n-pentyl acetate 621.84
    transcutol 1992.49
    n-heptanol 295.29
    ethylbenzene 517.02
    MIBK 723.99
    2-propoxyethanol 989.67
    tert-butanol 732.71
    MTBE 978.14
    2-butoxyethanol 444.98
    propionic acid 432.06
    o-xylene 732.94
    formic acid 68.36
    diethyl ether 1317.32
    m-xylene 810.08
    p-xylene 609.19
    chlorobenzene 1279.43
    dimethyl carbonate 359.08
    n-octane 158.9
    formamide 143.28
    cyclopentanone 2874.13
    2-pentanone 1343.09
    anisole 838.59
    cyclopentyl methyl ether 1908.47
    gamma-butyrolactone 2000.19
    1-methoxy-2-propanol 692.36
    pyridine 2179.49
    3-pentanone 1094.35
    furfural 1692.4
    n-dodecane 99.62
    diethylene glycol 481.84
    diisopropyl ether 471.62
    tert-amyl alcohol 590.24
    acetylacetone 1389.58
    n-hexadecane 118.47
    acetophenone 773.5
    methyl propionate 822.25
    isopentyl acetate 1039.2
    trichloroethylene 2521.4
    n-nonanol 322.1
    cyclohexanol 1058.11
    benzyl alcohol 499.71
    2-ethylhexanol 620.09
    isooctanol 256.58
    dipropyl ether 1227.67
    1,2-dichlorobenzene 988.28
    ethyl lactate 247.72
    propylene carbonate 999.14
    n-methylformamide 499.6
    2-pentanol 472.04
    n-pentane 361.2
    1-propoxy-2-propanol 922.85
    1-methoxy-2-propyl acetate 1033.75
    2-(2-methoxypropoxy) propanol 518.28
    mesitylene 565.51
    ε-caprolactone 1625.03
    p-cymene 465.88
    epichlorohydrin 1864.45
    1,1,1-trichloroethane 1750.56
    2-aminoethanol 170.14
    morpholine-4-carbaldehyde 1753.14
    sulfolane 2532.06
    2,2,4-trimethylpentane 137.9
    2-methyltetrahydrofuran 2601.12
    n-hexyl acetate 812.94
    isooctane 141.27
    2-(2-butoxyethoxy)ethanol 693.3
    sec-butyl acetate 489.48
    tert-butyl acetate 852.21
    decalin 300.09
    glycerin 195.77
    diglyme 1378.36
    acrylic acid 340.76
    isopropyl myristate 375.29
    n-butyric acid 771.19
    acetyl acetate 627.86
    di(2-ethylhexyl) phthalate 291.59
    ethyl propionate 560.53
    nitromethane 1098.82
    1,2-diethoxyethane 1313.24
    benzonitrile 981.79
    trioctyl phosphate 231.08
    1-bromopropane 1162.86
    gamma-valerolactone 2595.65
    n-decanol 261.47
    triethyl phosphate 350.49
    4-methyl-2-pentanol 268.81
    propionitrile 689.43
    vinylene carbonate 826.82
    1,1,2-trichlorotrifluoroethane 928.53
    DMS 589.95
    cumene 311.53
    2-octanol 247.94
    2-hexanone 864.64
    octyl acetate 430.2
    limonene 879.62
    1,2-dimethoxyethane 1285.78
    ethyl orthosilicate 364.77
    tributyl phosphate 302.54
    diacetone alcohol 722.04
    N,N-dimethylaniline 567.2
    acrylonitrile 739.97
    aniline 864.3
    1,3-propanediol 309.71
    bromobenzene 1601.64
    dibromomethane 1554.91
    1,1,2,2-tetrachloroethane 1899.68
    2-methyl-cyclohexyl acetate 680.72
    tetrabutyl urea 455.76
    diisobutyl methanol 429.02
    2-phenylethanol 623.34
    styrene 757.02
    dioctyl adipate 479.83
    dimethyl sulfate 607.57
    ethyl butyrate 900.13
    methyl lactate 315.56
    butyl lactate 404.36
    diethyl carbonate 501.29
    propanediol butyl ether 433.06
    triethyl orthoformate 634.97
    p-tert-butyltoluene 483.42
    methyl 4-tert-butylbenzoate 523.25
    morpholine 2247.35
    tert-butylamine 500.84
    n-dodecanol 228.14
    dimethoxymethane 1162.25
    ethylene carbonate 734.74
    cyrene 543.89
    2-ethoxyethyl acetate 770.63
    2-ethylhexyl acetate 941.83
    1,2,4-trichlorobenzene 1068.3
    4-methylpyridine 2099.56
    dibutyl ether 847.12
    2,6-dimethyl-4-heptanol 429.02
    DEF 1233.19
    dimethyl isosorbide 1111.97
    tetrachloroethylene 1164.47
    eugenol 459.56
    triacetin 665.01
    span 80 574.72
    1,4-butanediol 150.16
    1,1-dichloroethane 1474.1
    2-methyl-1-pentanol 354.72
    methyl formate 485.34
    2-methyl-1-butanol 466.58
    n-decane 164.85
    butyronitrile 852.32
    3,7-dimethyl-1-octanol 428.19
    1-chlorooctane 434.74
    1-chlorotetradecane 210.92
    n-nonane 187.49
    undecane 122.42
    tert-butylcyclohexane 230.34
    cyclooctane 451.74
    cyclopentanol 925.47
    tetrahydropyran 3230.3
    tert-amyl methyl ether 771.2
    2,5,8-trioxanonane 938.37
    1-hexene 677.56
    2-isopropoxyethanol 418.5
    2,2,2-trifluoroethanol 136.3
    methyl butyrate 800.48

    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
Garlic 2 8008-99-9 Allium sativum L., fam. Liliaceae 2.3%