Methyl 1-(1-propenylthio)propyl disulfide

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  • Identifiers

    Molecular formula
    C7H14S3

    SMILES
    CCC(S/C=C/C)SSC

  • Odor profile

    Onion 79.38%
    Garlic 70.57%
    Sulfurous 68.94%
    Alliaceous 58.44%
    Roasted 50.25%
    Savory 49.76%
    Cooked 48.36%
    Pungent 43.44%
    Meaty 37.63%
    Cabbage 28.5%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    5.02 (weak acid)

    Molecular weight
    194.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point est.
    105.81 ˚C

  • Synonyms

    • Methyl 1-(1-propenylthio)propyl disulfide
    • 1-(1-Propenylthio)propyl methyl disulfide
    • CHEBI:173934
    • MLJHEPZOIZWECP-GQCTYLIASA-N
    • 4-Ethyl-2,3,5-trithia-6-octene
    • methyl 1-(1-propenylthio) propyl disulfide
    • 1-Methyl-2-(1-(prop-1-en-1-ylthio)propyl)disulfane
    • 1-(methyldisulanyl)-1-[(E)-prop-1-enyl]sulanylpropane
    • 1-(methyldisulfanyl)-1-[(1E)-prop-1-en-1-ylsulfanyl]propane

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 716.14
    methanol 426.71
    isopropanol 674.15
    water 0.07
    ethyl acetate 1799.55
    n-propanol 711.28
    acetone 3136.85
    n-butanol 802.14
    acetonitrile 1269.01
    DMF 3006.84
    toluene 2533.88
    isobutanol 620.99
    1,4-dioxane 3801.73
    methyl acetate 1546.17
    THF 6043.77
    2-butanone 2310.09
    n-pentanol 533.83
    sec-butanol 691.56
    n-hexane 341.82
    ethylene glycol 101.3
    NMP 3278.85
    cyclohexane 1539.68
    DMSO 3189.71
    n-butyl acetate 2267.96
    n-octanol 549.79
    chloroform 4319.59
    n-propyl acetate 1111.53
    acetic acid 693.99
    dichloromethane 3978.6
    cyclohexanone 5369.19
    propylene glycol 187.87
    isopropyl acetate 1108.91
    DMAc 1887.48
    2-ethoxyethanol 643.42
    isopentanol 670.51
    n-heptane 645.79
    ethyl formate 933.03
    1,2-dichloroethane 2851.93
    n-hexanol 1034.07
    2-methoxyethanol 1043.61
    isobutyl acetate 761.75
    tetrachloromethane 1195.76
    n-pentyl acetate 1083.54
    transcutol 2197.16
    n-heptanol 463.98
    ethylbenzene 763.71
    MIBK 1089.19
    2-propoxyethanol 1259.8
    tert-butanol 1018.33
    MTBE 1526.26
    2-butoxyethanol 661.68
    propionic acid 634.96
    o-xylene 1061.89
    formic acid 83.34
    diethyl ether 1874.84
    m-xylene 1267.13
    p-xylene 932.74
    chlorobenzene 2352.39
    dimethyl carbonate 528.65
    n-octane 214.68
    formamide 195.36
    cyclopentanone 4981.1
    2-pentanone 2118.48
    anisole 1295.99
    cyclopentyl methyl ether 2811.16
    gamma-butyrolactone 3561.03
    1-methoxy-2-propanol 855.96
    pyridine 3942.46
    3-pentanone 1743.75
    furfural 2854.32
    n-dodecane 135.22
    diethylene glycol 590.23
    diisopropyl ether 663.95
    tert-amyl alcohol 833.37
    acetylacetone 2083.9
    n-hexadecane 162.41
    acetophenone 1155.36
    methyl propionate 1271.38
    isopentyl acetate 1628.38
    trichloroethylene 5233.13
    n-nonanol 476.02
    cyclohexanol 1638.63
    benzyl alcohol 774.79
    2-ethylhexanol 814.02
    isooctanol 396.06
    dipropyl ether 1567.14
    1,2-dichlorobenzene 1824.93
    ethyl lactate 348.47
    propylene carbonate 1776.41
    n-methylformamide 823.1
    2-pentanol 616.15
    n-pentane 392.68
    1-propoxy-2-propanol 1093.76
    1-methoxy-2-propyl acetate 1450.57
    2-(2-methoxypropoxy) propanol 660.02
    mesitylene 806.76
    ε-caprolactone 2973.23
    p-cymene 668.66
    epichlorohydrin 3329.98
    1,1,1-trichloroethane 3550.69
    2-aminoethanol 211.76
    morpholine-4-carbaldehyde 2893.12
    sulfolane 4268.24
    2,2,4-trimethylpentane 173.64
    2-methyltetrahydrofuran 4109.75
    n-hexyl acetate 1323.61
    isooctane 170.74
    2-(2-butoxyethoxy)ethanol 888.99
    sec-butyl acetate 742.25
    tert-butyl acetate 1316.89
    decalin 383.8
    glycerin 244.43
    diglyme 1867.34
    acrylic acid 508.51
    isopropyl myristate 591.35
    n-butyric acid 1138.36
    acetyl acetate 990.76
    di(2-ethylhexyl) phthalate 447.95
    ethyl propionate 867.89
    nitromethane 1472.05
    1,2-diethoxyethane 1661.14
    benzonitrile 1654.89
    trioctyl phosphate 362.86
    1-bromopropane 2012.15
    gamma-valerolactone 4805.76
    n-decanol 371.32
    triethyl phosphate 508.39
    4-methyl-2-pentanol 373.19
    propionitrile 1139.69
    vinylene carbonate 1584.69
    1,1,2-trichlorotrifluoroethane 1591.9
    DMS 879.01
    cumene 426.51
    2-octanol 407.15
    2-hexanone 1314.31
    octyl acetate 684.96
    limonene 1241.63
    1,2-dimethoxyethane 1818.57
    ethyl orthosilicate 516.36
    tributyl phosphate 447.0
    diacetone alcohol 1012.61
    N,N-dimethylaniline 807.16
    acrylonitrile 1231.33
    aniline 1460.31
    1,3-propanediol 412.42
    bromobenzene 3032.08
    dibromomethane 2907.58
    1,1,2,2-tetrachloroethane 3617.09
    2-methyl-cyclohexyl acetate 997.25
    tetrabutyl urea 668.96
    diisobutyl methanol 563.47
    2-phenylethanol 981.81
    styrene 1116.14
    dioctyl adipate 708.91
    dimethyl sulfate 850.06
    ethyl butyrate 1348.05
    methyl lactate 414.37
    butyl lactate 613.59
    diethyl carbonate 760.17
    propanediol butyl ether 573.25
    triethyl orthoformate 910.06
    p-tert-butyltoluene 677.17
    methyl 4-tert-butylbenzoate 845.29
    morpholine 3606.1
    tert-butylamine 693.41
    n-dodecanol 310.31
    dimethoxymethane 1620.29
    ethylene carbonate 1401.61
    cyrene 826.35
    2-ethoxyethyl acetate 1258.54
    2-ethylhexyl acetate 1491.27
    1,2,4-trichlorobenzene 1933.69
    4-methylpyridine 3878.94
    dibutyl ether 1177.49
    2,6-dimethyl-4-heptanol 563.47
    DEF 1967.48
    dimethyl isosorbide 1628.91
    tetrachloroethylene 2279.41
    eugenol 714.8
    triacetin 943.46
    span 80 775.52
    1,4-butanediol 193.71
    1,1-dichloroethane 2975.58
    2-methyl-1-pentanol 495.16
    methyl formate 774.49
    2-methyl-1-butanol 657.08
    n-decane 232.04
    butyronitrile 1471.07
    3,7-dimethyl-1-octanol 562.95
    1-chlorooctane 681.27
    1-chlorotetradecane 304.67
    n-nonane 262.61
    undecane 169.36
    tert-butylcyclohexane 280.7
    cyclooctane 542.7
    cyclopentanol 1463.35
    tetrahydropyran 5097.07
    tert-amyl methyl ether 1091.93
    2,5,8-trioxanonane 1235.37
    1-hexene 847.85
    2-isopropoxyethanol 534.28
    2,2,2-trifluoroethanol 218.66
    methyl butyrate 1226.57

    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 0.76%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.43%