(Z)-5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal

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  • Identifiers

    Molecular formula
    C8H14OS2

    SMILES
    CSCC/C=C(\CSC)/C=O

  • Odor profile

    Onion 63.25%
    Sulfurous 56.54%
    Sweet 56.42%
    Meaty 52.21%
    Vegetable 51.2%
    Garlic 49.42%
    Cabbage 43.68%
    Pungent 43.67%
    Cooked 43.28%
    Potato 41.1%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    190.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Flash point est.
    130.52 ˚C

  • Synonyms

    • SCHEMBL3096024

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 728.43
    methanol 766.04
    isopropanol 494.72
    water 0.43
    ethyl acetate 647.5
    n-propanol 552.06
    acetone 1561.63
    n-butanol 472.13
    acetonitrile 675.04
    DMF 1355.9
    toluene 647.52
    isobutanol 367.56
    1,4-dioxane 1145.09
    methyl acetate 659.78
    THF 1420.29
    2-butanone 919.31
    n-pentanol 346.85
    sec-butanol 386.0
    n-hexane 56.7
    ethylene glycol 146.4
    NMP 1086.2
    cyclohexane 210.79
    DMSO 1708.21
    n-butyl acetate 589.98
    n-octanol 171.07
    chloroform 2230.32
    n-propyl acetate 499.78
    acetic acid 779.5
    dichloromethane 1747.67
    cyclohexanone 1713.71
    propylene glycol 202.27
    isopropyl acetate 346.3
    DMAc 674.79
    2-ethoxyethanol 502.26
    isopentanol 356.46
    n-heptane 56.35
    ethyl formate 485.78
    1,2-dichloroethane 1288.66
    n-hexanol 396.36
    2-methoxyethanol 813.75
    isobutyl acetate 289.99
    tetrachloromethane 374.67
    n-pentyl acetate 352.83
    transcutol 2099.49
    n-heptanol 177.72
    ethylbenzene 233.78
    MIBK 372.12
    2-propoxyethanol 563.53
    tert-butanol 498.77
    MTBE 383.3
    2-butoxyethanol 356.76
    propionic acid 527.84
    o-xylene 299.62
    formic acid 256.93
    diethyl ether 490.44
    m-xylene 348.46
    p-xylene 278.86
    chlorobenzene 857.15
    dimethyl carbonate 199.01
    n-octane 21.54
    formamide 427.11
    cyclopentanone 1637.66
    2-pentanone 743.76
    anisole 436.91
    cyclopentyl methyl ether 716.88
    gamma-butyrolactone 1405.14
    1-methoxy-2-propanol 537.16
    pyridine 1520.85
    3-pentanone 481.0
    furfural 1365.28
    n-dodecane 14.65
    diethylene glycol 438.51
    diisopropyl ether 132.52
    tert-amyl alcohol 354.72
    acetylacetone 740.57
    n-hexadecane 17.45
    acetophenone 477.36
    methyl propionate 464.07
    isopentyl acetate 448.3
    trichloroethylene 2816.56
    n-nonanol 147.4
    cyclohexanol 633.5
    benzyl alcohol 424.37
    2-ethylhexanol 240.54
    isooctanol 147.6
    dipropyl ether 305.16
    1,2-dichlorobenzene 689.46
    ethyl lactate 196.36
    propylene carbonate 670.23
    n-methylformamide 724.33
    2-pentanol 296.78
    n-pentane 58.71
    1-propoxy-2-propanol 459.25
    1-methoxy-2-propyl acetate 451.0
    2-(2-methoxypropoxy) propanol 297.24
    mesitylene 198.62
    ε-caprolactone 1036.61
    p-cymene 149.98
    epichlorohydrin 1390.2
    1,1,1-trichloroethane 1240.32
    2-aminoethanol 303.78
    morpholine-4-carbaldehyde 1021.61
    sulfolane 1430.28
    2,2,4-trimethylpentane 26.39
    2-methyltetrahydrofuran 1068.65
    n-hexyl acetate 404.61
    isooctane 24.17
    2-(2-butoxyethoxy)ethanol 470.58
    sec-butyl acetate 276.86
    tert-butyl acetate 358.54
    decalin 62.54
    glycerin 285.59
    diglyme 949.25
    acrylic acid 516.56
    isopropyl myristate 135.59
    n-butyric acid 693.68
    acetyl acetate 376.82
    di(2-ethylhexyl) phthalate 143.3
    ethyl propionate 330.88
    nitromethane 1318.56
    1,2-diethoxyethane 586.06
    benzonitrile 723.94
    trioctyl phosphate 102.26
    1-bromopropane 599.66
    gamma-valerolactone 1602.75
    n-decanol 104.54
    triethyl phosphate 145.41
    4-methyl-2-pentanol 158.05
    propionitrile 542.73
    vinylene carbonate 750.64
    1,1,2-trichlorotrifluoroethane 1030.85
    DMS 312.31
    cumene 134.4
    2-octanol 127.14
    2-hexanone 521.58
    octyl acetate 169.44
    limonene 230.42
    1,2-dimethoxyethane 762.24
    ethyl orthosilicate 148.52
    tributyl phosphate 131.03
    diacetone alcohol 412.66
    N,N-dimethylaniline 262.18
    acrylonitrile 771.61
    aniline 611.66
    1,3-propanediol 422.0
    bromobenzene 879.17
    dibromomethane 1215.99
    1,1,2,2-tetrachloroethane 1963.62
    2-methyl-cyclohexyl acetate 278.21
    tetrabutyl urea 182.31
    diisobutyl methanol 147.79
    2-phenylethanol 382.03
    styrene 348.21
    dioctyl adipate 219.08
    dimethyl sulfate 316.55
    ethyl butyrate 352.72
    methyl lactate 235.54
    butyl lactate 282.03
    diethyl carbonate 218.08
    propanediol butyl ether 384.53
    triethyl orthoformate 241.48
    p-tert-butyltoluene 137.79
    methyl 4-tert-butylbenzoate 304.57
    morpholine 1372.18
    tert-butylamine 302.72
    n-dodecanol 78.94
    dimethoxymethane 585.28
    ethylene carbonate 577.1
    cyrene 334.86
    2-ethoxyethyl acetate 470.91
    2-ethylhexyl acetate 348.42
    1,2,4-trichlorobenzene 777.96
    4-methylpyridine 1316.91
    dibutyl ether 253.74
    2,6-dimethyl-4-heptanol 147.79
    DEF 650.3
    dimethyl isosorbide 526.43
    tetrachloroethylene 1401.87
    eugenol 331.19
    triacetin 372.51
    span 80 315.15
    1,4-butanediol 184.08
    1,1-dichloroethane 1269.21
    2-methyl-1-pentanol 265.29
    methyl formate 557.48
    2-methyl-1-butanol 324.38
    n-decane 26.89
    butyronitrile 601.39
    3,7-dimethyl-1-octanol 173.09
    1-chlorooctane 142.9
    1-chlorotetradecane 50.5
    n-nonane 27.93
    undecane 18.79
    tert-butylcyclohexane 46.73
    cyclooctane 55.33
    cyclopentanol 589.32
    tetrahydropyran 1418.75
    tert-amyl methyl ether 262.54
    2,5,8-trioxanonane 551.7
    1-hexene 231.25
    2-isopropoxyethanol 342.89
    2,2,2-trifluoroethanol 234.3
    methyl butyrate 501.36

    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