4-Vinyl-1,2,3-trithia-5-cyclohexene

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C5H6S3

    SMILES
    C=CC1C=CSSS1

  • Odor profile

    Sulfurous 63.75%
    Garlic 54.25%
    Onion 53.85%
    Roasted 50.37%
    Meaty 43.46%
    Alliaceous 43.12%
    Pungent 39.35%
    Cooked 37.53%
    Savory 33.98%
    Beefy 25.5%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    162.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point est.
    107.81 ˚C

  • Synonyms

    • SCHEMBL2929191
    • 4-vinyl-1,2,3-trithia-5-cyclohexene

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.67
    methanol 37.31
    isopropanol 49.48
    water 0.05
    ethyl acetate 276.39
    n-propanol 53.9
    acetone 545.42
    n-butanol 60.4
    acetonitrile 183.6
    DMF 659.22
    toluene 412.68
    isobutanol 46.13
    1,4-dioxane 758.92
    methyl acetate 316.8
    THF 990.71
    2-butanone 389.06
    n-pentanol 61.79
    sec-butanol 54.8
    n-hexane 12.77
    ethylene glycol 16.42
    NMP 704.09
    cyclohexane 55.37
    DMSO 663.94
    n-butyl acetate 300.59
    n-octanol 65.79
    chloroform 600.65
    n-propyl acetate 222.54
    acetic acid 112.77
    dichloromethane 547.4
    cyclohexanone 752.8
    propylene glycol 25.12
    isopropyl acetate 203.82
    DMAc 512.92
    2-ethoxyethanol 149.31
    isopentanol 63.62
    n-heptane 31.65
    ethyl formate 154.59
    1,2-dichloroethane 399.09
    n-hexanol 94.41
    2-methoxyethanol 177.68
    isobutyl acetate 166.99
    tetrachloromethane 101.21
    n-pentyl acetate 193.35
    transcutol 867.96
    n-heptanol 56.75
    ethylbenzene 130.69
    MIBK 207.17
    2-propoxyethanol 213.79
    tert-butanol 88.47
    MTBE 182.35
    2-butoxyethanol 134.04
    propionic acid 85.89
    o-xylene 191.91
    formic acid 20.64
    diethyl ether 183.47
    m-xylene 210.06
    p-xylene 166.39
    chlorobenzene 449.45
    dimethyl carbonate 150.74
    n-octane 14.1
    formamide 57.11
    cyclopentanone 860.89
    2-pentanone 313.12
    anisole 347.58
    cyclopentyl methyl ether 385.61
    gamma-butyrolactone 739.65
    1-methoxy-2-propanol 150.99
    pyridine 781.57
    3-pentanone 272.4
    furfural 854.07
    n-dodecane 13.18
    diethylene glycol 141.79
    diisopropyl ether 90.88
    tert-amyl alcohol 83.66
    acetylacetone 545.36
    n-hexadecane 15.96
    acetophenone 351.02
    methyl propionate 224.55
    isopentyl acetate 251.73
    trichloroethylene 1009.51
    n-nonanol 65.05
    cyclohexanol 133.45
    benzyl alcohol 201.87
    2-ethylhexanol 95.11
    isooctanol 55.32
    dipropyl ether 171.13
    1,2-dichlorobenzene 376.71
    ethyl lactate 88.34
    propylene carbonate 361.03
    n-methylformamide 161.0
    2-pentanol 54.85
    n-pentane 14.56
    1-propoxy-2-propanol 190.04
    1-methoxy-2-propyl acetate 340.46
    2-(2-methoxypropoxy) propanol 210.45
    mesitylene 137.7
    ε-caprolactone 505.25
    p-cymene 113.33
    epichlorohydrin 756.91
    1,1,1-trichloroethane 461.06
    2-aminoethanol 29.08
    morpholine-4-carbaldehyde 831.88
    sulfolane 887.62
    2,2,4-trimethylpentane 15.62
    2-methyltetrahydrofuran 530.49
    n-hexyl acetate 224.96
    isooctane 15.36
    2-(2-butoxyethoxy)ethanol 271.24
    sec-butyl acetate 173.44
    tert-butyl acetate 267.0
    decalin 36.08
    glycerin 47.88
    diglyme 589.15
    acrylic acid 97.43
    isopropyl myristate 113.48
    n-butyric acid 131.21
    acetyl acetate 237.79
    di(2-ethylhexyl) phthalate 108.24
    ethyl propionate 176.04
    nitromethane 438.79
    1,2-diethoxyethane 408.41
    benzonitrile 371.72
    trioctyl phosphate 66.86
    1-bromopropane 190.21
    gamma-valerolactone 1076.73
    n-decanol 54.54
    triethyl phosphate 112.66
    4-methyl-2-pentanol 49.02
    propionitrile 138.31
    vinylene carbonate 376.19
    1,1,2-trichlorotrifluoroethane 379.95
    DMS 250.79
    cumene 87.68
    2-octanol 47.67
    2-hexanone 250.45
    octyl acetate 126.44
    limonene 160.73
    1,2-dimethoxyethane 420.36
    ethyl orthosilicate 110.4
    tributyl phosphate 89.19
    diacetone alcohol 224.29
    N,N-dimethylaniline 205.29
    acrylonitrile 207.99
    aniline 260.21
    1,3-propanediol 54.73
    bromobenzene 541.29
    dibromomethane 350.02
    1,1,2,2-tetrachloroethane 602.5
    2-methyl-cyclohexyl acetate 201.16
    tetrabutyl urea 134.41
    diisobutyl methanol 81.2
    2-phenylethanol 217.03
    styrene 199.18
    dioctyl adipate 161.3
    dimethyl sulfate 303.14
    ethyl butyrate 221.23
    methyl lactate 103.8
    butyl lactate 121.77
    diethyl carbonate 146.12
    propanediol butyl ether 133.46
    triethyl orthoformate 169.06
    p-tert-butyltoluene 119.31
    methyl 4-tert-butylbenzoate 221.67
    morpholine 575.06
    tert-butylamine 55.42
    n-dodecanol 48.08
    dimethoxymethane 345.71
    ethylene carbonate 275.54
    cyrene 273.88
    2-ethoxyethyl acetate 331.23
    2-ethylhexyl acetate 227.84
    1,2,4-trichlorobenzene 457.37
    4-methylpyridine 669.13
    dibutyl ether 143.85
    2,6-dimethyl-4-heptanol 81.2
    DEF 330.92
    dimethyl isosorbide 484.42
    tetrachloroethylene 348.78
    eugenol 218.9
    triacetin 296.49
    span 80 181.5
    1,4-butanediol 33.21
    1,1-dichloroethane 353.69
    2-methyl-1-pentanol 66.79
    methyl formate 177.28
    2-methyl-1-butanol 56.16
    n-decane 19.12
    butyronitrile 148.36
    3,7-dimethyl-1-octanol 87.15
    1-chlorooctane 75.86
    1-chlorotetradecane 40.29
    n-nonane 17.95
    undecane 15.32
    tert-butylcyclohexane 30.32
    cyclooctane 27.18
    cyclopentanol 142.97
    tetrahydropyran 538.27
    tert-amyl methyl ether 162.39
    2,5,8-trioxanonane 426.22
    1-hexene 51.96
    2-isopropoxyethanol 136.75
    2,2,2-trifluoroethanol 56.16
    methyl butyrate 231.35

    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
Garlic (China) Allium sativum L., fam. Liliaceae 0.97%