trans-Propenyl propyl disulfide

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  • Identifiers

    CAS number
    23838-21-3

    Molecular formula
    C6H12S2

    SMILES
    CCCSS/C=C/C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Onion 84.05%
    Garlic 77.47%
    Sulfurous 69.37%
    Alliaceous 63.9%
    Savory 48.98%
    Cooked 48.16%
    Pungent 45.71%
    Roasted 39.23%
    Radish 32.95%
    Cabbage 30.58%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.78 (weak acid)

    Molecular weight
    148.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    196°C

    Flash point est.
    65.68 ˚C

  • Synonyms

    • trans-Propenyl propyl disulfide
    • (E)-Propenyl propyl disulfide
    • 1-[[(E)-prop-1-enyl]disulfanyl]propane
    • (E)-1-Propenyl propyl disulfide
    • Propenyl propyl disulfide, (E)-
    • Propyl trans-1-propenyl disulfide
    • trans-1-Propenyl propyl disulfide
    • FEMA No. 3227, E-
    • Propenyl propyl disulfide, (1E)-
    • UNII-5O37LS610N
    • Disulfide, 1-propenyl propyl, (E)-
    • 5O37LS610N
    • Disulfide, (1E)-1-propen-1-yl propyl
    • 23838-21-3
    • 5905-46-4
    • Propenyl propyl disulfide
    • Disulfide, propenyl propyl, (E)-
    • Disulfide, (1E)-1-propenyl propyl
    • PROPENYL PROPYL DISULFIDE, TRANS-
    • (E)-1-(Prop-1-en-1-yl)-2-propyldisulfane
    • 1-(((E)-prop-1-enyl)disulfanyl)propane
    • Propyl 1-propenyl disulfide, trans
    • (1E)-propenyl propyl disulfide
    • trans-Propenyl propyl disulphide
    • (e)-1-Propenyl propyl disulphide
    • AAPBYIVJOWCMGH-UHFFFAOYSA-N
    • Disulfide, (E)-1-propenyl, propyl
    • Propyl 1-propenyl disulfide, (Z)-
    • Disulfide, 1-propenyl propyl, trans
    • AKOS006288500
    • A832136
    • Q27262621

  • Applications

    trans-Propenyl propyl disulfide (CAS 23838-21-3) is an organosulfur compound with characteristic onion–garlic, roasted, umami-sulfur notes, used predominantly at trace levels as a flavor ingredient to build/boost savory profiles (onion, garlic, leek, sautéed meat, soups, sauces, dry seasonings, savory snacks, processed seafood), to add depth and realism to grilled/meaty/BBQ/ramen flavors, and to support truffle, kimchi, pickled-vegetable, or aged-cheese nuances in foods and occasionally in concept perfumery; it is also employed as an analytical/sensory reference (GC–MS/GC–O standard) for volatile sulfur compounds from Allium matrices, in studies of thermal/Maillard aroma development, odor thresholds, and synergistic/masking interactions with mercaptans and thioethers, and as a building block or benchmark in the development of related disulfide syntheses; handle and store cool, away from oxygen/light/metal catalysts, and use in compliance with local flavor regulations due to its very high odor potency.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1358.49
    methanol 957.92
    isopropanol 1247.83
    water 0.13
    ethyl acetate 2321.61
    n-propanol 1203.65
    acetone 4780.16
    n-butanol 1386.73
    acetonitrile 1940.6
    DMF 4243.8
    toluene 3073.15
    isobutanol 1035.23
    1,4-dioxane 4959.39
    methyl acetate 1934.25
    THF 7939.57
    2-butanone 3027.97
    n-pentanol 855.64
    sec-butanol 1156.62
    n-hexane 799.01
    ethylene glycol 201.62
    NMP 3927.78
    cyclohexane 3054.08
    DMSO 5138.02
    n-butyl acetate 3093.36
    n-octanol 737.14
    chloroform 5272.92
    n-propyl acetate 1399.32
    acetic acid 1208.98
    dichloromethane 4847.14
    cyclohexanone 6672.74
    propylene glycol 345.08
    isopropyl acetate 1408.15
    DMAc 2414.47
    2-ethoxyethanol 1007.22
    isopentanol 1140.05
    n-heptane 1351.88
    ethyl formate 1230.71
    1,2-dichloroethane 3297.85
    n-hexanol 1661.48
    2-methoxyethanol 1813.59
    isobutyl acetate 906.88
    tetrachloromethane 1338.78
    n-pentyl acetate 1289.29
    transcutol 3426.69
    n-heptanol 628.18
    ethylbenzene 973.47
    MIBK 1484.18
    2-propoxyethanol 1933.84
    tert-butanol 1835.04
    MTBE 2174.78
    2-butoxyethanol 871.49
    propionic acid 973.98
    o-xylene 1286.86
    formic acid 150.06
    diethyl ether 2901.73
    m-xylene 1533.79
    p-xylene 1174.84
    chlorobenzene 2637.88
    dimethyl carbonate 689.76
    n-octane 361.65
    formamide 312.02
    cyclopentanone 6020.48
    2-pentanone 2967.18
    anisole 1482.96
    cyclopentyl methyl ether 4003.54
    gamma-butyrolactone 4110.68
    1-methoxy-2-propanol 1475.83
    pyridine 4644.33
    3-pentanone 2286.38
    furfural 3293.08
    n-dodecane 204.2
    diethylene glycol 920.54
    diisopropyl ether 994.23
    tert-amyl alcohol 1339.38
    acetylacetone 2857.47
    n-hexadecane 242.92
    acetophenone 1352.57
    methyl propionate 1662.52
    isopentyl acetate 2147.2
    trichloroethylene 5665.31
    n-nonanol 646.98
    cyclohexanol 2495.84
    benzyl alcohol 916.94
    2-ethylhexanol 1306.06
    isooctanol 517.45
    dipropyl ether 2694.57
    1,2-dichlorobenzene 2017.16
    ethyl lactate 454.17
    propylene carbonate 2067.64
    n-methylformamide 1210.89
    2-pentanol 1110.75
    n-pentane 878.59
    1-propoxy-2-propanol 1835.22
    1-methoxy-2-propyl acetate 1948.19
    2-(2-methoxypropoxy) propanol 879.77
    mesitylene 1042.98
    ε-caprolactone 3406.18
    p-cymene 887.03
    epichlorohydrin 3771.9
    1,1,1-trichloroethane 4052.72
    2-aminoethanol 396.57
    morpholine-4-carbaldehyde 3505.67
    sulfolane 5156.85
    2,2,4-trimethylpentane 282.25
    2-methyltetrahydrofuran 5412.55
    n-hexyl acetate 1641.8
    isooctane 295.94
    2-(2-butoxyethoxy)ethanol 1215.52
    sec-butyl acetate 900.91
    tert-butyl acetate 1646.69
    decalin 598.44
    glycerin 408.92
    diglyme 2627.88
    acrylic acid 780.93
    isopropyl myristate 731.76
    n-butyric acid 1846.93
    acetyl acetate 1282.38
    di(2-ethylhexyl) phthalate 523.82
    ethyl propionate 1079.41
    nitromethane 2310.59
    1,2-diethoxyethane 2475.63
    benzonitrile 2005.53
    trioctyl phosphate 439.5
    1-bromopropane 2825.54
    gamma-valerolactone 5555.76
    n-decanol 497.67
    triethyl phosphate 635.63
    4-methyl-2-pentanol 583.67
    propionitrile 1679.29
    vinylene carbonate 1800.71
    1,1,2-trichlorotrifluoroethane 1856.96
    DMS 1047.4
    cumene 537.84
    2-octanol 519.61
    2-hexanone 1772.48
    octyl acetate 845.33
    limonene 1807.24
    1,2-dimethoxyethane 2626.47
    ethyl orthosilicate 680.46
    tributyl phosphate 583.47
    diacetone alcohol 1383.64
    N,N-dimethylaniline 980.31
    acrylonitrile 1721.13
    aniline 1795.12
    1,3-propanediol 737.99
    bromobenzene 3360.14
    dibromomethane 3733.18
    1,1,2,2-tetrachloroethane 4297.14
    2-methyl-cyclohexyl acetate 1272.62
    tetrabutyl urea 881.16
    diisobutyl methanol 864.56
    2-phenylethanol 1173.23
    styrene 1432.64
    dioctyl adipate 901.0
    dimethyl sulfate 1112.01
    ethyl butyrate 1836.11
    methyl lactate 598.44
    butyl lactate 789.12
    diethyl carbonate 975.44
    propanediol butyl ether 822.57
    triethyl orthoformate 1221.87
    p-tert-butyltoluene 907.46
    methyl 4-tert-butylbenzoate 921.54
    morpholine 4862.68
    tert-butylamine 1274.34
    n-dodecanol 424.03
    dimethoxymethane 2415.66
    ethylene carbonate 1647.42
    cyrene 891.31
    2-ethoxyethyl acetate 1411.58
    2-ethylhexyl acetate 1909.79
    1,2,4-trichlorobenzene 2063.98
    4-methylpyridine 4419.75
    dibutyl ether 1816.4
    2,6-dimethyl-4-heptanol 864.56
    DEF 2666.79
    dimethyl isosorbide 1918.73
    tetrachloroethylene 2676.31
    eugenol 788.61
    triacetin 1153.0
    span 80 1036.88
    1,4-butanediol 320.1
    1,1-dichloroethane 3467.07
    2-methyl-1-pentanol 737.86
    methyl formate 1079.16
    2-methyl-1-butanol 1063.69
    n-decane 363.29
    butyronitrile 2220.98
    3,7-dimethyl-1-octanol 833.74
    1-chlorooctane 895.93
    1-chlorotetradecane 404.63
    n-nonane 425.99
    undecane 258.89
    tert-butylcyclohexane 444.33
    cyclooctane 1008.75
    cyclopentanol 2193.18
    tetrahydropyran 7277.91
    tert-amyl methyl ether 1544.03
    2,5,8-trioxanonane 1668.15
    1-hexene 1612.1
    2-isopropoxyethanol 776.86
    2,2,2-trifluoroethanol 300.72
    methyl butyrate 1616.51

    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
Onion 8002-72-0 Allium cepa L., fam. Liliaceae 9.5%
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 5.7%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.78%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 4.72%
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 5.9%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.31%