Divinyl sulfide

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  • Identifiers

    CAS number
    627-51-0

    Molecular formula
    C4H6S

    SMILES
    C=CSC=C

  • Odor profile

    Garlic 77.01%
    Onion 74.74%
    Pungent 71.88%
    Sulfurous 68.42%
    Alliaceous 60.54%
    Radish 42.18%
    Cooked 36.07%
    Savory 32.33%
    Roasted 27.66%
    Cabbage 25.72%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.4 (weak base)

    Molecular weight
    86.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 20 °C

    Boiling point

    • 101.00 °C. @ 760.00 mm Hg

    Flash point est.
    -15.15 ˚C

  • Synonyms

    • Divinyl sulfide
    • Vinyl sulfide
    • Divinyl thioether
    • ethenylsulfanylethene
    • Ethene, 1,1'-thiobis-
    • 627-51-0
    • 1,1'-THIOBISETHENE
    • diethenyl sulfide
    • (ethenylsulfanyl)ethene
    • UNII-CL87X0NVJA
    • CL87X0NVJA
    • BRN 1733369
    • (CH2=CH)2S
    • Vinyl sulfide, 8CI
    • 1,1'-Thiobis-Ethene
    • 3-Thia-1,4-pentadiene
    • 1-(Vinylsulfanyl)ethylene
    • 1,1'-Thiobisethene, 9CI
    • DTXSID10211766
    • thiodiethylene
    • divinyl sulphide
    • ethenylsulanylethene
    • DIVINYLSULFIDE
    • (Ethenylsulphanyl)ethene
    • 1-(Vinylsulfanyl)ethylene #
    • DTXCID40134257
    • CHEBI:177668
    • EN300-26948834
    • Q27275519

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.85
    methanol 39.46
    isopropanol 43.08
    water 0.07
    ethyl acetate 191.68
    n-propanol 62.57
    acetone 132.28
    n-butanol 81.06
    acetonitrile 89.04
    DMF 103.75
    toluene 159.7
    isobutanol 45.56
    1,4-dioxane 317.25
    methyl acetate 145.64
    THF 573.26
    2-butanone 168.52
    n-pentanol 62.74
    sec-butanol 68.2
    n-hexane 87.93
    ethylene glycol 7.53
    NMP 278.83
    cyclohexane 184.76
    DMSO 134.04
    n-butyl acetate 369.52
    n-octanol 67.05
    chloroform 424.97
    n-propyl acetate 149.02
    acetic acid 74.75
    dichloromethane 305.6
    cyclohexanone 367.38
    propylene glycol 13.54
    isopropyl acetate 115.02
    DMAc 110.66
    2-ethoxyethanol 79.1
    isopentanol 65.21
    n-heptane 188.29
    ethyl formate 95.25
    1,2-dichloroethane 193.55
    n-hexanol 144.72
    2-methoxyethanol 92.27
    isobutyl acetate 90.2
    tetrachloromethane 130.58
    n-pentyl acetate 146.33
    transcutol 337.67
    n-heptanol 66.7
    ethylbenzene 79.18
    MIBK 97.47
    2-propoxyethanol 167.02
    tert-butanol 68.5
    MTBE 127.16
    2-butoxyethanol 93.1
    propionic acid 72.51
    o-xylene 92.77
    formic acid 14.5
    diethyl ether 229.45
    m-xylene 93.12
    p-xylene 90.96
    chlorobenzene 207.3
    dimethyl carbonate 41.74
    n-octane 48.99
    formamide 24.68
    cyclopentanone 377.96
    2-pentanone 171.6
    anisole 137.79
    cyclopentyl methyl ether 309.52
    gamma-butyrolactone 344.74
    1-methoxy-2-propanol 84.15
    pyridine 283.29
    3-pentanone 144.33
    furfural 296.21
    n-dodecane 25.75
    diethylene glycol 65.45
    diisopropyl ether 84.56
    tert-amyl alcohol 82.84
    acetylacetone 151.0
    n-hexadecane 30.02
    acetophenone 121.28
    methyl propionate 114.4
    isopentyl acetate 235.1
    trichloroethylene 384.0
    n-nonanol 66.3
    cyclohexanol 132.23
    benzyl alcohol 70.4
    2-ethylhexanol 143.99
    isooctanol 58.55
    dipropyl ether 318.32
    1,2-dichlorobenzene 172.26
    ethyl lactate 47.67
    propylene carbonate 206.33
    n-methylformamide 49.59
    2-pentanol 71.2
    n-pentane 75.94
    1-propoxy-2-propanol 179.9
    1-methoxy-2-propyl acetate 207.03
    2-(2-methoxypropoxy) propanol 106.34
    mesitylene 68.99
    ε-caprolactone 313.68
    p-cymene 109.79
    epichlorohydrin 320.21
    1,1,1-trichloroethane 288.88
    2-aminoethanol 18.77
    morpholine-4-carbaldehyde 233.38
    sulfolane 353.82
    2,2,4-trimethylpentane 30.82
    2-methyltetrahydrofuran 443.56
    n-hexyl acetate 161.87
    isooctane 27.17
    2-(2-butoxyethoxy)ethanol 140.24
    sec-butyl acetate 108.51
    tert-butyl acetate 141.83
    decalin 64.12
    glycerin 19.95
    diglyme 272.17
    acrylic acid 60.65
    isopropyl myristate 88.26
    n-butyric acid 131.32
    acetyl acetate 124.71
    di(2-ethylhexyl) phthalate 61.1
    ethyl propionate 123.39
    nitromethane 129.63
    1,2-diethoxyethane 280.24
    benzonitrile 138.92
    trioctyl phosphate 50.09
    1-bromopropane 209.73
    gamma-valerolactone 361.25
    n-decanol 53.23
    triethyl phosphate 97.84
    4-methyl-2-pentanol 43.32
    propionitrile 94.44
    vinylene carbonate 173.93
    1,1,2-trichlorotrifluoroethane 162.18
    DMS 106.79
    cumene 57.79
    2-octanol 52.77
    2-hexanone 156.03
    octyl acetate 97.78
    limonene 203.03
    1,2-dimethoxyethane 186.59
    ethyl orthosilicate 103.99
    tributyl phosphate 67.26
    diacetone alcohol 114.38
    N,N-dimethylaniline 86.76
    acrylonitrile 91.46
    aniline 110.65
    1,3-propanediol 36.76
    bromobenzene 230.31
    dibromomethane 267.92
    1,1,2,2-tetrachloroethane 291.74
    2-methyl-cyclohexyl acetate 169.61
    tetrabutyl urea 86.78
    diisobutyl methanol 97.51
    2-phenylethanol 114.76
    styrene 105.04
    dioctyl adipate 108.03
    dimethyl sulfate 66.61
    ethyl butyrate 260.43
    methyl lactate 42.18
    butyl lactate 76.2
    diethyl carbonate 143.0
    propanediol butyl ether 58.39
    triethyl orthoformate 184.26
    p-tert-butyltoluene 107.87
    methyl 4-tert-butylbenzoate 114.12
    morpholine 292.85
    tert-butylamine 57.96
    n-dodecanol 47.02
    dimethoxymethane 106.45
    ethylene carbonate 146.19
    cyrene 111.15
    2-ethoxyethyl acetate 158.06
    2-ethylhexyl acetate 238.49
    1,2,4-trichlorobenzene 198.28
    4-methylpyridine 246.02
    dibutyl ether 194.68
    2,6-dimethyl-4-heptanol 97.51
    DEF 159.22
    dimethyl isosorbide 251.22
    tetrachloroethylene 207.47
    eugenol 96.34
    triacetin 134.17
    span 80 115.82
    1,4-butanediol 16.69
    1,1-dichloroethane 210.84
    2-methyl-1-pentanol 61.0
    methyl formate 46.57
    2-methyl-1-butanol 68.67
    n-decane 45.61
    butyronitrile 123.71
    3,7-dimethyl-1-octanol 81.71
    1-chlorooctane 104.34
    1-chlorotetradecane 48.65
    n-nonane 51.45
    undecane 32.77
    tert-butylcyclohexane 53.02
    cyclooctane 82.27
    cyclopentanol 125.55
    tetrahydropyran 417.28
    tert-amyl methyl ether 131.56
    2,5,8-trioxanonane 199.9
    1-hexene 145.92
    2-isopropoxyethanol 69.22
    2,2,2-trifluoroethanol 31.65
    methyl butyrate 156.78

    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