2-Mercapto-3,4-dimethyl-2,3-dihydrothiophene

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  • Identifiers

    Molecular formula
    C6H10S2

    SMILES
    CC1C(SC=C1C)S

  • Odor profile

    Meaty 70.95%
    Sulfurous 65.65%
    Roasted 63.68%
    Onion 48.7%
    Savory 39.67%
    Cooked 37.92%
    Garlic 37.23%
    Beefy 34.91%
    Alliaceous 33.92%
    Burnt 32.05%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    146.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    209°C

    Flash point est.
    79.29 ˚C

  • Synonyms

    • 2-mercapto-3,4-dimethyl-2,3-dihydrothiophene
    • SCHEMBL9609132
    • VNWDIRWAEAIXKU-UHFFFAOYSA-N
    • 3,4-dimethyl-2,3-dihydro-2-thiophenethiol
    • 3,4-dimethyl-2,3-dihydro-thiophene-2-thiol

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 221.38
    methanol 265.81
    isopropanol 151.85
    water 4.09
    ethyl acetate 215.75
    n-propanol 182.29
    acetone 289.76
    n-butanol 180.08
    acetonitrile 186.15
    DMF 321.7
    toluene 143.18
    isobutanol 123.33
    1,4-dioxane 577.79
    methyl acetate 219.31
    THF 524.82
    2-butanone 233.06
    n-pentanol 135.44
    sec-butanol 132.95
    n-hexane 11.19
    ethylene glycol 74.78
    NMP 297.41
    cyclohexane 27.73
    DMSO 286.02
    n-butyl acetate 177.31
    n-octanol 84.81
    chloroform 560.64
    n-propyl acetate 133.7
    acetic acid 217.45
    dichloromethane 391.15
    cyclohexanone 296.26
    propylene glycol 81.22
    isopropyl acetate 145.88
    DMAc 289.75
    2-ethoxyethanol 249.69
    isopentanol 145.59
    n-heptane 23.25
    ethyl formate 150.93
    1,2-dichloroethane 214.62
    n-hexanol 171.8
    2-methoxyethanol 380.25
    isobutyl acetate 98.73
    tetrachloromethane 135.06
    n-pentyl acetate 126.62
    transcutol 705.61
    n-heptanol 108.54
    ethylbenzene 61.28
    MIBK 136.63
    2-propoxyethanol 316.85
    tert-butanol 169.69
    MTBE 159.76
    2-butoxyethanol 214.56
    propionic acid 135.39
    o-xylene 89.71
    formic acid 116.27
    diethyl ether 214.16
    m-xylene 97.64
    p-xylene 87.03
    chlorobenzene 203.74
    dimethyl carbonate 102.07
    n-octane 10.34
    formamide 187.17
    cyclopentanone 346.69
    2-pentanone 188.08
    anisole 190.19
    cyclopentyl methyl ether 204.8
    gamma-butyrolactone 320.8
    1-methoxy-2-propanol 280.0
    pyridine 340.77
    3-pentanone 152.2
    furfural 374.93
    n-dodecane 9.68
    diethylene glycol 249.56
    diisopropyl ether 71.96
    tert-amyl alcohol 137.91
    acetylacetone 255.97
    n-hexadecane 11.19
    acetophenone 164.91
    methyl propionate 157.6
    isopentyl acetate 154.82
    trichloroethylene 433.93
    n-nonanol 84.47
    cyclohexanol 138.05
    benzyl alcohol 144.28
    2-ethylhexanol 103.89
    isooctanol 88.55
    dipropyl ether 129.35
    1,2-dichlorobenzene 190.15
    ethyl lactate 78.29
    propylene carbonate 187.91
    n-methylformamide 180.24
    2-pentanol 117.08
    n-pentane 19.36
    1-propoxy-2-propanol 225.59
    1-methoxy-2-propyl acetate 230.46
    2-(2-methoxypropoxy) propanol 197.81
    mesitylene 65.61
    ε-caprolactone 250.16
    p-cymene 65.61
    epichlorohydrin 344.67
    1,1,1-trichloroethane 277.48
    2-aminoethanol 134.2
    morpholine-4-carbaldehyde 412.49
    sulfolane 317.23
    2,2,4-trimethylpentane 13.01
    2-methyltetrahydrofuran 310.25
    n-hexyl acetate 144.38
    isooctane 12.83
    2-(2-butoxyethoxy)ethanol 278.12
    sec-butyl acetate 101.21
    tert-butyl acetate 172.58
    decalin 18.25
    glycerin 129.14
    diglyme 472.85
    acrylic acid 125.38
    isopropyl myristate 76.37
    n-butyric acid 193.25
    acetyl acetate 174.81
    di(2-ethylhexyl) phthalate 77.34
    ethyl propionate 107.34
    nitromethane 347.04
    1,2-diethoxyethane 267.7
    benzonitrile 175.19
    trioctyl phosphate 54.23
    1-bromopropane 139.28
    gamma-valerolactone 474.25
    n-decanol 63.8
    triethyl phosphate 73.72
    4-methyl-2-pentanol 86.29
    propionitrile 144.72
    vinylene carbonate 212.19
    1,1,2-trichlorotrifluoroethane 292.57
    DMS 131.07
    cumene 52.1
    2-octanol 67.44
    2-hexanone 143.9
    octyl acetate 91.03
    limonene 86.75
    1,2-dimethoxyethane 361.26
    ethyl orthosilicate 75.07
    tributyl phosphate 60.91
    diacetone alcohol 191.69
    N,N-dimethylaniline 123.49
    acrylonitrile 165.96
    aniline 188.01
    1,3-propanediol 192.73
    bromobenzene 207.73
    dibromomethane 262.53
    1,1,2,2-tetrachloroethane 327.07
    2-methyl-cyclohexyl acetate 121.23
    tetrabutyl urea 77.24
    diisobutyl methanol 74.61
    2-phenylethanol 173.33
    styrene 82.26
    dioctyl adipate 105.11
    dimethyl sulfate 142.3
    ethyl butyrate 134.33
    methyl lactate 102.93
    butyl lactate 106.52
    diethyl carbonate 97.02
    propanediol butyl ether 161.25
    triethyl orthoformate 113.16
    p-tert-butyltoluene 68.52
    methyl 4-tert-butylbenzoate 159.92
    morpholine 480.32
    tert-butylamine 110.96
    n-dodecanol 50.85
    dimethoxymethane 287.81
    ethylene carbonate 176.77
    cyrene 188.39
    2-ethoxyethyl acetate 206.34
    2-ethylhexyl acetate 127.38
    1,2,4-trichlorobenzene 227.43
    4-methylpyridine 283.96
    dibutyl ether 101.18
    2,6-dimethyl-4-heptanol 74.61
    DEF 183.03
    dimethyl isosorbide 303.74
    tetrachloroethylene 255.02
    eugenol 175.74
    triacetin 172.11
    span 80 174.16
    1,4-butanediol 83.17
    1,1-dichloroethane 246.99
    2-methyl-1-pentanol 114.24
    methyl formate 141.24
    2-methyl-1-butanol 129.6
    n-decane 15.73
    butyronitrile 163.59
    3,7-dimethyl-1-octanol 89.03
    1-chlorooctane 56.11
    1-chlorotetradecane 28.08
    n-nonane 13.51
    undecane 11.97
    tert-butylcyclohexane 17.87
    cyclooctane 12.55
    cyclopentanol 148.0
    tetrahydropyran 345.36
    tert-amyl methyl ether 124.73
    2,5,8-trioxanonane 368.59
    1-hexene 45.43
    2-isopropoxyethanol 186.76
    2,2,2-trifluoroethanol 117.85
    methyl butyrate 131.17

    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
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.08%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.45%