trans-1-Propenyl propyl trisulfide

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  • Identifiers

    CAS number
    33368-79-5

    Molecular formula
    C6H12S3

    SMILES
    CCCSSS/C=C/C

  • Odor profile

    Onion 85.15%
    Garlic 78.53%
    Sulfurous 74.54%
    Alliaceous 63.79%
    Savory 51.69%
    Cooked 50.44%
    Pungent 48.44%
    Roasted 46.89%
    Radish 31.31%
    Meaty 31.03%

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  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    180.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    244°C

    Flash point est.
    105.33 ˚C

  • Synonyms

    • trans-1-Propenyl propyl trisulfide
    • Trisulfide, propenyl propyl, (E)-
    • (E)-1-Propenyl propyl trisulfide
    • Propyl (E)-1-propenyl trisulfide
    • Propenyl propyl trisulfide
    • 23838-27-9
    • Propyl 1-propenyl trisulfide
    • trans-Propenylpropyltrisulfid
    • trans-Propenyl propyl trisulfide
    • CKVNYTRYOFXVGM-HWKANZROSA-N
    • Propyl trans-1-propenyl trisulfide
    • 1-propenyl propyl trisulfide (E/Z)
    • Propyl 1-propenyl trisulfide, (E)-
    • Trisulfide, (1E)-1-propenyl propyl
    • Trisulfide, 1-propenyl propyl, (E)-
    • Trisulfide, (1E)-1-propen-1-yl propyl
    • (E)-1-(Prop-1-en-1-yl)-3-propyltrisulfane
    • Q67880206

  • Applications

    trans-1-Propenyl propyl trisulfide (CAS 33368-79-5) is a characteristic Allium-derived polysulfide used primarily as a sulfurous flavor modifier delivering authentic onion–garlic notes in soups, seasonings, processed meats, snacks, and infused oils; at trace levels in fragrances to impart umami, roasted, and meaty nuances; as a reference standard/marker in analytical testing and quality control of onion/garlic essential oils and for studies of aroma release and stability; as a model compound in polysulfide chemistry to probe radical-scavenging and heat-driven flavor transformations; and it has been investigated for natural bioactivities (antimicrobial, antifungal, insect-repellent, postharvest pathogen suppression) with potential roles in plant-based preservatives or biocontrol formulations subject to local regulations; it is also used at laboratory scale in sulfur-containing organic synthesis and sensory evaluation, with handling considerations due to strong odor and potential irritation, and adherence to use limits, exposure safety, and labeling requirements.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 668.29
    methanol 463.44
    isopropanol 634.58
    water 0.06
    ethyl acetate 1762.37
    n-propanol 624.79
    acetone 4006.36
    n-butanol 727.03
    acetonitrile 1350.21
    DMF 5188.11
    toluene 2678.68
    isobutanol 573.22
    1,4-dioxane 3972.19
    methyl acetate 1559.16
    THF 6484.08
    2-butanone 2435.71
    n-pentanol 519.36
    sec-butanol 632.47
    n-hexane 310.2
    ethylene glycol 127.12
    NMP 4686.66
    cyclohexane 1259.37
    DMSO 4988.29
    n-butyl acetate 2007.54
    n-octanol 496.29
    chloroform 3523.97
    n-propyl acetate 1104.78
    acetic acid 853.35
    dichloromethane 3531.26
    cyclohexanone 5433.09
    propylene glycol 240.86
    isopropyl acetate 1106.15
    DMAc 3075.92
    2-ethoxyethanol 787.05
    isopentanol 648.03
    n-heptane 479.68
    ethyl formate 958.26
    1,2-dichloroethane 2662.83
    n-hexanol 805.19
    2-methoxyethanol 1421.26
    isobutyl acetate 757.44
    tetrachloromethane 692.64
    n-pentyl acetate 1017.93
    transcutol 3022.65
    n-heptanol 369.48
    ethylbenzene 835.08
    MIBK 1218.81
    2-propoxyethanol 1223.28
    tert-butanol 979.54
    MTBE 1538.35
    2-butoxyethanol 665.84
    propionic acid 593.32
    o-xylene 1144.98
    formic acid 110.73
    diethyl ether 1583.25
    m-xylene 1339.56
    p-xylene 1041.66
    chlorobenzene 2419.84
    dimethyl carbonate 710.98
    n-octane 173.27
    formamide 282.34
    cyclopentanone 5961.93
    2-pentanone 2282.4
    anisole 1511.4
    cyclopentyl methyl ether 3068.61
    gamma-butyrolactone 4046.0
    1-methoxy-2-propanol 1129.72
    pyridine 4367.59
    3-pentanone 1831.74
    furfural 3614.86
    n-dodecane 127.02
    diethylene glycol 681.81
    diisopropyl ether 606.09
    tert-amyl alcohol 814.81
    acetylacetone 2970.53
    n-hexadecane 152.3
    acetophenone 1469.28
    methyl propionate 1432.12
    isopentyl acetate 1573.97
    trichloroethylene 5199.15
    n-nonanol 453.24
    cyclohexanol 1448.76
    benzyl alcohol 871.76
    2-ethylhexanol 716.51
    isooctanol 334.35
    dipropyl ether 1369.9
    1,2-dichlorobenzene 1808.64
    ethyl lactate 384.13
    propylene carbonate 1949.08
    n-methylformamide 1117.05
    2-pentanol 592.63
    n-pentane 324.82
    1-propoxy-2-propanol 1191.64
    1-methoxy-2-propyl acetate 1722.73
    2-(2-methoxypropoxy) propanol 835.82
    mesitylene 863.88
    ε-caprolactone 2792.56
    p-cymene 637.2
    epichlorohydrin 3891.94
    1,1,1-trichloroethane 2921.39
    2-aminoethanol 252.36
    morpholine-4-carbaldehyde 4034.5
    sulfolane 5304.15
    2,2,4-trimethylpentane 154.24
    2-methyltetrahydrofuran 3941.34
    n-hexyl acetate 1320.75
    isooctane 163.17
    2-(2-butoxyethoxy)ethanol 1102.85
    sec-butyl acetate 762.71
    tert-butyl acetate 1486.37
    decalin 383.85
    glycerin 320.55
    diglyme 2349.93
    acrylic acid 564.22
    isopropyl myristate 625.65
    n-butyric acid 1096.44
    acetyl acetate 1161.56
    di(2-ethylhexyl) phthalate 494.49
    ethyl propionate 904.54
    nitromethane 2323.81
    1,2-diethoxyethane 1999.76
    benzonitrile 1932.91
    trioctyl phosphate 375.93
    1-bromopropane 1656.23
    gamma-valerolactone 5828.39
    n-decanol 359.93
    triethyl phosphate 547.94
    4-methyl-2-pentanol 358.14
    propionitrile 1028.03
    vinylene carbonate 1698.06
    1,1,2-trichlorotrifluoroethane 1835.79
    DMS 1129.94
    cumene 458.32
    2-octanol 330.46
    2-hexanone 1391.33
    octyl acetate 731.82
    limonene 1180.2
    1,2-dimethoxyethane 2387.94
    ethyl orthosilicate 563.69
    tributyl phosphate 512.55
    diacetone alcohol 1270.57
    N,N-dimethylaniline 995.68
    acrylonitrile 1309.71
    aniline 1600.54
    1,3-propanediol 477.64
    bromobenzene 3073.81
    dibromomethane 2470.63
    1,1,2,2-tetrachloroethane 3547.13
    2-methyl-cyclohexyl acetate 1050.43
    tetrabutyl urea 815.21
    diisobutyl methanol 521.19
    2-phenylethanol 998.1
    styrene 1263.57
    dioctyl adipate 844.87
    dimethyl sulfate 1273.51
    ethyl butyrate 1260.46
    methyl lactate 536.74
    butyl lactate 676.12
    diethyl carbonate 742.05
    propanediol butyl ether 692.28
    triethyl orthoformate 921.53
    p-tert-butyltoluene 669.5
    methyl 4-tert-butylbenzoate 955.68
    morpholine 3834.13
    tert-butylamine 646.42
    n-dodecanol 310.23
    dimethoxymethane 2418.41
    ethylene carbonate 1394.74
    cyrene 980.88
    2-ethoxyethyl acetate 1417.17
    2-ethylhexyl acetate 1422.07
    1,2,4-trichlorobenzene 2000.25
    4-methylpyridine 4397.44
    dibutyl ether 1178.42
    2,6-dimethyl-4-heptanol 521.19
    DEF 2362.41
    dimethyl isosorbide 1973.26
    tetrachloroethylene 2077.68
    eugenol 829.65
    triacetin 1154.7
    span 80 903.4
    1,4-butanediol 230.29
    1,1-dichloroethane 2417.31
    2-methyl-1-pentanol 494.79
    methyl formate 1068.64
    2-methyl-1-butanol 627.96
    n-decane 204.44
    butyronitrile 1365.82
    3,7-dimethyl-1-octanol 597.98
    1-chlorooctane 624.95
    1-chlorotetradecane 297.04
    n-nonane 216.18
    undecane 155.2
    tert-butylcyclohexane 286.32
    cyclooctane 493.64
    cyclopentanol 1336.06
    tetrahydropyran 4438.22
    tert-amyl methyl ether 1184.95
    2,5,8-trioxanonane 1622.93
    1-hexene 768.16
    2-isopropoxyethanol 625.05
    2,2,2-trifluoroethanol 252.67
    methyl butyrate 1298.45

    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, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 2.94%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 6.59%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%