1-(Methylthio)ethyl 2-propenyl disulfide

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  • Identifiers

    CAS number
    195203-59-9

    Molecular formula
    C6H12S3

    SMILES
    CC(SC)SSCC=C

    Retention indicies (RI)

    • Carbowax: 1864.0

  • Odor profile

    Onion 84.27%
    Sulfurous 80.16%
    Garlic 78.57%
    Alliaceous 68.47%
    Roasted 55.47%
    Savory 53.16%
    Cooked 49.68%
    Pungent 44.62%
    Meaty 41.43%
    Cabbage 31.56%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    4.62 (weak acid)

    Molecular weight
    180.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point est.
    95.47 ˚C

  • Synonyms

    • Allyl 1-(methylthio)ethyl disulphide
    • 1-(Methylthio)ethyl 2-propenyl disulfide
    • CHEBI:173848
    • JLUAARRGSDKZGD-UHFFFAOYSA-N
    • DTXSID401272967
    • Allyl 1-(methylthio)ethyl disulfide
    • 1-(methylthio)ethyl-2-propenyl disulfide
    • Disulfide, 1-(methylthio)ethyl 2-propenyl
    • 3-(1-methylsulanylethyldisulanyl)prop-1-ene
    • 3-{[1-(methylsulfanyl)ethyl]disulfanyl}prop-1-ene
    • 195203-59-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 269.2
    methanol 138.51
    isopropanol 264.15
    water 0.05
    ethyl acetate 718.59
    n-propanol 289.12
    acetone 1023.18
    n-butanol 331.02
    acetonitrile 384.38
    DMF 771.26
    toluene 1000.44
    isobutanol 244.49
    1,4-dioxane 1600.6
    methyl acetate 591.71
    THF 2380.51
    2-butanone 885.74
    n-pentanol 248.26
    sec-butanol 309.33
    n-hexane 98.7
    ethylene glycol 31.67
    NMP 902.91
    cyclohexane 490.1
    DMSO 994.09
    n-butyl acetate 957.36
    n-octanol 245.38
    chloroform 1441.38
    n-propyl acetate 469.69
    acetic acid 236.63
    dichloromethane 1186.94
    cyclohexanone 1868.69
    propylene glycol 78.06
    isopropyl acetate 467.89
    DMAc 646.49
    2-ethoxyethanol 320.03
    isopentanol 283.39
    n-heptane 240.72
    ethyl formate 324.61
    1,2-dichloroethane 823.11
    n-hexanol 520.72
    2-methoxyethanol 415.89
    isobutyl acetate 337.66
    tetrachloromethane 343.8
    n-pentyl acetate 461.72
    transcutol 1322.9
    n-heptanol 218.06
    ethylbenzene 313.32
    MIBK 466.2
    2-propoxyethanol 616.78
    tert-butanol 418.85
    MTBE 598.37
    2-butoxyethanol 321.55
    propionic acid 231.01
    o-xylene 468.39
    formic acid 30.8
    diethyl ether 735.67
    m-xylene 508.45
    p-xylene 376.64
    chlorobenzene 843.11
    dimethyl carbonate 176.08
    n-octane 73.95
    formamide 68.17
    cyclopentanone 1696.97
    2-pentanone 801.94
    anisole 543.83
    cyclopentyl methyl ether 1120.94
    gamma-butyrolactone 1155.79
    1-methoxy-2-propanol 393.99
    pyridine 1437.87
    3-pentanone 646.8
    furfural 1023.79
    n-dodecane 47.83
    diethylene glycol 290.65
    diisopropyl ether 283.19
    tert-amyl alcohol 364.1
    acetylacetone 806.64
    n-hexadecane 57.98
    acetophenone 486.87
    methyl propionate 485.07
    isopentyl acetate 717.32
    trichloroethylene 1594.94
    n-nonanol 219.38
    cyclohexanol 628.57
    benzyl alcohol 336.67
    2-ethylhexanol 399.37
    isooctanol 187.52
    dipropyl ether 688.35
    1,2-dichlorobenzene 624.68
    ethyl lactate 152.52
    propylene carbonate 617.84
    n-methylformamide 229.46
    2-pentanol 269.52
    n-pentane 119.78
    1-propoxy-2-propanol 584.64
    1-methoxy-2-propyl acetate 719.56
    2-(2-methoxypropoxy) propanol 368.96
    mesitylene 331.59
    ε-caprolactone 1110.25
    p-cymene 307.88
    epichlorohydrin 1212.56
    1,1,1-trichloroethane 1093.79
    2-aminoethanol 82.93
    morpholine-4-carbaldehyde 1001.59
    sulfolane 1329.94
    2,2,4-trimethylpentane 65.1
    2-methyltetrahydrofuran 1586.97
    n-hexyl acetate 540.71
    isooctane 61.02
    2-(2-butoxyethoxy)ethanol 476.78
    sec-butyl acetate 358.37
    tert-butyl acetate 589.34
    decalin 138.08
    glycerin 97.33
    diglyme 932.96
    acrylic acid 177.0
    isopropyl myristate 263.47
    n-butyric acid 445.38
    acetyl acetate 417.5
    di(2-ethylhexyl) phthalate 208.94
    ethyl propionate 364.05
    nitromethane 517.54
    1,2-diethoxyethane 868.12
    benzonitrile 624.01
    trioctyl phosphate 161.71
    1-bromopropane 644.53
    gamma-valerolactone 1624.09
    n-decanol 170.87
    triethyl phosphate 234.87
    4-methyl-2-pentanol 171.78
    propionitrile 379.75
    vinylene carbonate 542.0
    1,1,2-trichlorotrifluoroethane 609.19
    DMS 367.32
    cumene 180.6
    2-octanol 179.19
    2-hexanone 549.75
    octyl acetate 291.38
    limonene 553.41
    1,2-dimethoxyethane 774.27
    ethyl orthosilicate 248.58
    tributyl phosphate 200.85
    diacetone alcohol 485.54
    N,N-dimethylaniline 333.0
    acrylonitrile 390.91
    aniline 562.39
    1,3-propanediol 162.04
    bromobenzene 994.61
    dibromomethane 904.68
    1,1,2,2-tetrachloroethane 1199.95
    2-methyl-cyclohexyl acetate 480.48
    tetrabutyl urea 279.19
    diisobutyl methanol 276.82
    2-phenylethanol 479.46
    styrene 431.74
    dioctyl adipate 327.91
    dimethyl sulfate 279.49
    ethyl butyrate 618.95
    methyl lactate 168.26
    butyl lactate 281.57
    diethyl carbonate 333.54
    propanediol butyl ether 283.61
    triethyl orthoformate 437.61
    p-tert-butyltoluene 324.07
    methyl 4-tert-butylbenzoate 388.71
    morpholine 1488.34
    tert-butylamine 291.64
    n-dodecanol 140.8
    dimethoxymethane 579.49
    ethylene carbonate 486.45
    cyrene 406.97
    2-ethoxyethyl acetate 596.76
    2-ethylhexyl acetate 649.15
    1,2,4-trichlorobenzene 732.26
    4-methylpyridine 1350.05
    dibutyl ether 482.85
    2,6-dimethyl-4-heptanol 276.82
    DEF 686.31
    dimethyl isosorbide 784.26
    tetrachloroethylene 726.78
    eugenol 332.52
    triacetin 480.15
    span 80 398.49
    1,4-butanediol 78.02
    1,1-dichloroethane 935.47
    2-methyl-1-pentanol 223.87
    methyl formate 212.5
    2-methyl-1-butanol 264.61
    n-decane 82.93
    butyronitrile 493.99
    3,7-dimethyl-1-octanol 284.12
    1-chlorooctane 258.86
    1-chlorotetradecane 117.77
    n-nonane 89.63
    undecane 60.74
    tert-butylcyclohexane 107.36
    cyclooctane 177.19
    cyclopentanol 541.47
    tetrahydropyran 1976.18
    tert-amyl methyl ether 490.5
    2,5,8-trioxanonane 649.16
    1-hexene 307.39
    2-isopropoxyethanol 282.39
    2,2,2-trifluoroethanol 83.65
    methyl butyrate 497.63

    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
Nira (Brazil) Allium tuberosum Rottl., fam. Liliaceae 0.3%