1-Propenyl propyl sulfide

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  • Identifiers

    CAS number
    33922-70-2

    Molecular formula
    C6H12S

    SMILES
    CCCS/C=C/C

  • Odor profile

    Onion 79.33%
    Garlic 75.01%
    Sulfurous 61.75%
    Alliaceous 59.21%
    Savory 46.45%
    Cooked 46.25%
    Pungent 45.62%
    Radish 36.42%
    Vegetable 35.12%
    Cabbage 33.62%

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  • Properties

    XLogP3-AA
    2.5

    Molecular weight
    116.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 152.00 to 154.00 °C. @ 760.00 mm Hg

    Flash point est.
    29.18 ˚C

  • Synonyms

    • 33922-70-2
    • 1-Propenyl propyl sulfide
    • 1-[(E)-prop-1-enyl]sulfanylpropane
    • Allylpropylsulfide
    • 1-(1-Propenylthio)propane
    • 1-[[(E)-prop-1-enyl]thio]propane
    • 4-Thia-2-heptene
    • (e)-1-propenyl propyl sulfide
    • CHEBI:166592
    • 1-(Propylthio)-1-propene, 9CI
    • 1-[(E)-prop-1-enyl]sulanylpropane
    • (1E)-1-(Propylsulfanyl)-1-propene
    • (1E)-1-(propylsulfanyl)prop-1-ene
    • AKOS006303843
    • (1E)-1-(Propylsulfanyl)-1-propene #

  • Applications

    1-Propenyl propyl sulfide is an organosulfur thioether with a distinctive onion/garlic character; in flavor and fragrance applications it is used at trace levels to build and fine-tune Allium notes in broths, sauces, snack seasonings, canned foods, meat alternatives, and dry blends, often in combination with related disulfides/sulfoxides to balance fresh versus cooked nuances, or delivered via microencapsulation to control release during thermal processing and storage; analytically it serves as a GC–MS/GC–O reference and calibration component for profiling onion/garlic volatiles, authenticity testing of Allium oils/extracts, process monitoring, and as a sensory training odorant; in research it functions as a model thioether for studying oxidation to sulfoxides/sulfones, degradation kinetics, and aroma-formation pathways in food processing, as well as a precursor/reagent for synthesizing related derivatives for structure–odor relationship studies; use in foods is subject to local regulations, and handling should minimize exposure to air and light and employ closed systems because of its strong odor and susceptibility to oxidation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1533.5
    methanol 807.93
    isopropanol 1474.76
    water 0.08
    ethyl acetate 1528.86
    n-propanol 1426.69
    acetone 2355.48
    n-butanol 1629.55
    acetonitrile 1225.09
    DMF 1736.17
    toluene 1533.39
    isobutanol 1130.8
    1,4-dioxane 3286.38
    methyl acetate 1208.22
    THF 5752.61
    2-butanone 1952.18
    n-pentanol 970.58
    sec-butanol 1334.48
    n-hexane 1028.64
    ethylene glycol 122.48
    NMP 1704.73
    cyclohexane 2590.25
    DMSO 2654.0
    n-butyl acetate 3376.78
    n-octanol 818.99
    chloroform 3626.77
    n-propyl acetate 1045.73
    acetic acid 782.39
    dichloromethane 3434.62
    cyclohexanone 3727.2
    propylene glycol 250.04
    isopropyl acetate 886.45
    DMAc 1014.12
    2-ethoxyethanol 749.39
    isopentanol 1159.46
    n-heptane 2549.08
    ethyl formate 861.53
    1,2-dichloroethane 2144.57
    n-hexanol 2445.8
    2-methoxyethanol 1225.21
    isobutyl acetate 653.54
    tetrachloromethane 1086.81
    n-pentyl acetate 1101.18
    transcutol 2411.56
    n-heptanol 789.21
    ethylbenzene 564.52
    MIBK 889.69
    2-propoxyethanol 1859.11
    tert-butanol 1733.3
    MTBE 1733.22
    2-butoxyethanol 773.23
    propionic acid 774.97
    o-xylene 705.09
    formic acid 77.91
    diethyl ether 2380.3
    m-xylene 824.81
    p-xylene 683.68
    chlorobenzene 1429.15
    dimethyl carbonate 259.59
    n-octane 522.75
    formamide 148.33
    cyclopentanone 3233.89
    2-pentanone 1866.85
    anisole 759.77
    cyclopentyl methyl ether 2640.91
    gamma-butyrolactone 2274.54
    1-methoxy-2-propanol 1084.14
    pyridine 2722.07
    3-pentanone 1244.57
    furfural 1458.11
    n-dodecane 237.9
    diethylene glycol 674.91
    diisopropyl ether 755.28
    tert-amyl alcohol 1270.3
    acetylacetone 1276.11
    n-hexadecane 273.84
    acetophenone 652.9
    methyl propionate 988.5
    isopentyl acetate 2034.44
    trichloroethylene 3010.16
    n-nonanol 677.74
    cyclohexanol 2086.8
    benzyl alcohol 536.7
    2-ethylhexanol 1736.94
    isooctanol 578.61
    dipropyl ether 3413.7
    1,2-dichlorobenzene 989.36
    ethyl lactate 291.21
    propylene carbonate 1205.2
    n-methylformamide 585.5
    2-pentanol 1186.63
    n-pentane 1065.7
    1-propoxy-2-propanol 1897.89
    1-methoxy-2-propyl acetate 1338.29
    2-(2-methoxypropoxy) propanol 602.58
    mesitylene 524.96
    ε-caprolactone 2282.43
    p-cymene 796.71
    epichlorohydrin 2376.79
    1,1,1-trichloroethane 2492.36
    2-aminoethanol 319.34
    morpholine-4-carbaldehyde 1585.17
    sulfolane 2403.85
    2,2,4-trimethylpentane 275.29
    2-methyltetrahydrofuran 4399.83
    n-hexyl acetate 1296.17
    isooctane 274.18
    2-(2-butoxyethoxy)ethanol 889.85
    sec-butyl acetate 634.12
    tert-butyl acetate 946.89
    decalin 454.9
    glycerin 252.91
    diglyme 1833.27
    acrylic acid 476.48
    isopropyl myristate 572.61
    n-butyric acid 1522.16
    acetyl acetate 689.13
    di(2-ethylhexyl) phthalate 363.58
    ethyl propionate 742.52
    nitromethane 1064.86
    1,2-diethoxyethane 2120.52
    benzonitrile 1061.73
    trioctyl phosphate 341.44
    1-bromopropane 2765.84
    gamma-valerolactone 2657.72
    n-decanol 501.34
    triethyl phosphate 456.25
    4-methyl-2-pentanol 536.61
    propionitrile 1276.19
    vinylene carbonate 934.47
    1,1,2-trichlorotrifluoroethane 985.52
    DMS 540.87
    cumene 335.63
    2-octanol 602.66
    2-hexanone 1276.6
    octyl acetate 674.61
    limonene 1742.42
    1,2-dimethoxyethane 1875.51
    ethyl orthosilicate 506.26
    tributyl phosphate 444.23
    diacetone alcohol 834.22
    N,N-dimethylaniline 491.63
    acrylonitrile 1054.57
    aniline 1066.26
    1,3-propanediol 620.94
    bromobenzene 1722.73
    dibromomethane 3102.77
    1,1,2,2-tetrachloroethane 2364.09
    2-methyl-cyclohexyl acetate 994.07
    tetrabutyl urea 652.7
    diisobutyl methanol 921.26
    2-phenylethanol 870.28
    styrene 798.98
    dioctyl adipate 638.34
    dimethyl sulfate 383.85
    ethyl butyrate 1828.11
    methyl lactate 308.66
    butyl lactate 620.69
    diethyl carbonate 846.72
    propanediol butyl ether 600.08
    triethyl orthoformate 1108.09
    p-tert-butyltoluene 739.19
    methyl 4-tert-butylbenzoate 538.55
    morpholine 3528.81
    tert-butylamine 1359.88
    n-dodecanol 409.73
    dimethoxymethane 1231.32
    ethylene carbonate 942.28
    cyrene 470.4
    2-ethoxyethyl acetate 1015.76
    2-ethylhexyl acetate 1792.28
    1,2,4-trichlorobenzene 1013.2
    4-methylpyridine 2413.2
    dibutyl ether 1904.77
    2,6-dimethyl-4-heptanol 921.26
    DEF 1520.34
    dimethyl isosorbide 1196.97
    tetrachloroethylene 1536.1
    eugenol 484.7
    triacetin 669.44
    span 80 779.84
    1,4-butanediol 240.19
    1,1-dichloroethane 2528.77
    2-methyl-1-pentanol 740.39
    methyl formate 460.9
    2-methyl-1-butanol 1106.48
    n-decane 435.45
    butyronitrile 2071.07
    3,7-dimethyl-1-octanol 811.83
    1-chlorooctane 905.99
    1-chlorotetradecane 370.86
    n-nonane 541.98
    undecane 306.04
    tert-butylcyclohexane 383.4
    cyclooctane 800.13
    cyclopentanol 1986.91
    tetrahydropyran 5634.2
    tert-amyl methyl ether 1223.19
    2,5,8-trioxanonane 1091.94
    1-hexene 1837.73
    2-isopropoxyethanol 592.99
    2,2,2-trifluoroethanol 138.2
    methyl butyrate 1081.33

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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
Onion 8002-72-0 Allium cepa L., fam. Liliaceae 0.5%