(-)-1-(Methylthio)propyl 1-propenyl disulfide

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  • Identifiers

    CAS number
    37399-26-1

    Molecular formula
    C7H14S3

    SMILES
    CCC(SC)SS/C=C/C

  • Odor profile

    Onion 80.46%
    Garlic 72.14%
    Sulfurous 70.42%
    Alliaceous 58.54%
    Savory 49.88%
    Roasted 49.82%
    Cooked 49.09%
    Pungent 44.79%
    Meaty 37.52%
    Cabbage 29.77%

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  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    194.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point est.
    105.83 ˚C

  • Synonyms

    • (-)-1-(Methylthio)propyl 1-propenyl disulfide
    • SCHEMBL7551836
    • CHEBI:173935
    • IBBCARUEUHCYHK-GQCTYLIASA-N
    • trans-propenyl 1-(methylthio)propyl disulfide
    • 1-(1-Propen-1-yl)-2-(2-thiopent-3-yl)disulfide
    • 1-methylsulanyl-1-[[(E)-prop-1-enyl]disulanyl]propane

  • Applications

    (-)-1-(Methylthio)propyl 1-propenyl disulfide (CAS 37399-26-1) is a characteristic Allium-like organosulfur disulfide used at laboratory and flavor-industry scales as a contributor to onion/garlic, sulfury notes in savory seasonings, soups, sauces, roasted/meaty profiles and snack coatings; as a reference standard and GC/GC–MS calibrant for profiling garlic/onion essential oils, authenticity verification, and tracking thermal transformations; as a model compound to study organosulfur chemistry (disulfide redox, conversion to thiosulfinates/polysulfides, interactions with protein/thiol matrices); as a precursor/building block for synthesizing more complex sulfur compounds; and as a probe for assessing typical bioactivities of natural disulfides in vitro (odor thresholds, antimicrobial/antioxidant effects) and for calibrating odor sensors/e-noses; because of its extremely potent odor and low sensory threshold, it is used at trace levels, may be microencapsulated for stability and handling, and requires strict adherence to ventilation, handling safety, and applicable flavor-use regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 807.12
    methanol 527.66
    isopropanol 634.86
    water 0.05
    ethyl acetate 1792.15
    n-propanol 733.85
    acetone 3155.66
    n-butanol 803.89
    acetonitrile 1244.67
    DMF 2748.81
    toluene 2575.14
    isobutanol 560.16
    1,4-dioxane 4464.87
    methyl acetate 1402.76
    THF 6638.76
    2-butanone 2143.51
    n-pentanol 528.02
    sec-butanol 618.17
    n-hexane 281.94
    ethylene glycol 82.06
    NMP 3186.46
    cyclohexane 1543.63
    DMSO 3171.84
    n-butyl acetate 2126.82
    n-octanol 387.29
    chloroform 3882.12
    n-propyl acetate 1042.23
    acetic acid 703.6
    dichloromethane 3633.43
    cyclohexanone 5406.61
    propylene glycol 153.56
    isopropyl acetate 1045.39
    DMAc 1819.23
    2-ethoxyethanol 680.35
    isopentanol 649.63
    n-heptane 482.72
    ethyl formate 869.73
    1,2-dichloroethane 2773.21
    n-hexanol 973.08
    2-methoxyethanol 1106.36
    isobutyl acetate 655.41
    tetrachloromethane 950.27
    n-pentyl acetate 947.62
    transcutol 2423.51
    n-heptanol 366.54
    ethylbenzene 639.06
    MIBK 1047.82
    2-propoxyethanol 1254.05
    tert-butanol 943.59
    MTBE 1516.7
    2-butoxyethanol 570.8
    propionic acid 560.59
    o-xylene 927.46
    formic acid 96.86
    diethyl ether 2280.11
    m-xylene 1099.14
    p-xylene 751.09
    chlorobenzene 2192.13
    dimethyl carbonate 466.43
    n-octane 136.58
    formamide 234.02
    cyclopentanone 4747.92
    2-pentanone 2122.87
    anisole 1154.52
    cyclopentyl methyl ether 2933.5
    gamma-butyrolactone 3312.95
    1-methoxy-2-propanol 800.86
    pyridine 4283.12
    3-pentanone 1632.87
    furfural 2606.29
    n-dodecane 81.66
    diethylene glycol 555.17
    diisopropyl ether 656.45
    tert-amyl alcohol 766.79
    acetylacetone 1969.59
    n-hexadecane 100.0
    acetophenone 1006.41
    methyl propionate 1224.29
    isopentyl acetate 1551.12
    trichloroethylene 4943.47
    n-nonanol 353.53
    cyclohexanol 1515.07
    benzyl alcohol 675.06
    2-ethylhexanol 723.37
    isooctanol 308.36
    dipropyl ether 1496.75
    1,2-dichlorobenzene 1566.68
    ethyl lactate 285.2
    propylene carbonate 1488.98
    n-methylformamide 818.99
    2-pentanol 556.25
    n-pentane 339.64
    1-propoxy-2-propanol 1056.06
    1-methoxy-2-propyl acetate 1445.12
    2-(2-methoxypropoxy) propanol 615.82
    mesitylene 669.68
    ε-caprolactone 2749.04
    p-cymene 544.08
    epichlorohydrin 3340.28
    1,1,1-trichloroethane 3169.48
    2-aminoethanol 204.87
    morpholine-4-carbaldehyde 2770.33
    sulfolane 3789.66
    2,2,4-trimethylpentane 137.75
    2-methyltetrahydrofuran 4385.39
    n-hexyl acetate 1084.89
    isooctane 131.5
    2-(2-butoxyethoxy)ethanol 827.01
    sec-butyl acetate 678.72
    tert-butyl acetate 1252.29
    decalin 305.16
    glycerin 198.12
    diglyme 1755.62
    acrylic acid 438.98
    isopropyl myristate 476.9
    n-butyric acid 1089.99
    acetyl acetate 962.45
    di(2-ethylhexyl) phthalate 386.49
    ethyl propionate 767.52
    nitromethane 1649.1
    1,2-diethoxyethane 1751.55
    benzonitrile 1479.82
    trioctyl phosphate 286.27
    1-bromopropane 1947.57
    gamma-valerolactone 4841.02
    n-decanol 273.07
    triethyl phosphate 434.39
    4-methyl-2-pentanol 331.95
    propionitrile 1061.6
    vinylene carbonate 1339.12
    1,1,2-trichlorotrifluoroethane 1503.1
    DMS 752.9
    cumene 336.2
    2-octanol 290.64
    2-hexanone 1214.45
    octyl acetate 555.17
    limonene 1077.65
    1,2-dimethoxyethane 1915.67
    ethyl orthosilicate 461.19
    tributyl phosphate 373.1
    diacetone alcohol 953.21
    N,N-dimethylaniline 663.01
    acrylonitrile 1123.68
    aniline 1451.12
    1,3-propanediol 408.3
    bromobenzene 2735.24
    dibromomethane 2735.46
    1,1,2,2-tetrachloroethane 3381.36
    2-methyl-cyclohexyl acetate 884.38
    tetrabutyl urea 557.06
    diisobutyl methanol 479.11
    2-phenylethanol 902.63
    styrene 1005.09
    dioctyl adipate 590.56
    dimethyl sulfate 733.53
    ethyl butyrate 1226.77
    methyl lactate 361.57
    butyl lactate 498.02
    diethyl carbonate 653.04
    propanediol butyl ether 458.38
    triethyl orthoformate 844.99
    p-tert-butyltoluene 551.0
    methyl 4-tert-butylbenzoate 691.34
    morpholine 4316.74
    tert-butylamine 669.09
    n-dodecanol 225.59
    dimethoxymethane 1642.59
    ethylene carbonate 1209.24
    cyrene 714.03
    2-ethoxyethyl acetate 1198.39
    2-ethylhexyl acetate 1362.43
    1,2,4-trichlorobenzene 1698.72
    4-methylpyridine 4045.11
    dibutyl ether 972.05
    2,6-dimethyl-4-heptanol 479.11
    DEF 2004.09
    dimethyl isosorbide 1522.79
    tetrachloroethylene 2145.03
    eugenol 594.78
    triacetin 805.81
    span 80 679.8
    1,4-butanediol 162.97
    1,1-dichloroethane 2655.56
    2-methyl-1-pentanol 462.23
    methyl formate 721.86
    2-methyl-1-butanol 604.89
    n-decane 148.01
    butyronitrile 1438.52
    3,7-dimethyl-1-octanol 449.38
    1-chlorooctane 478.86
    1-chlorotetradecane 207.71
    n-nonane 159.27
    undecane 103.84
    tert-butylcyclohexane 214.9
    cyclooctane 449.59
    cyclopentanol 1311.89
    tetrahydropyran 5906.18
    tert-amyl methyl ether 1067.82
    2,5,8-trioxanonane 1202.89
    1-hexene 790.36
    2-isopropoxyethanol 505.87
    2,2,2-trifluoroethanol 202.39
    methyl butyrate 1119.91

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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
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 37.93%
Asafoetida (Iran) 1 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 2.65%