3,4-Dimethyl-2-(propyldisulfanyl)thiophene

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  • Identifiers

    Molecular formula
    C9H14S3

    SMILES
    CCCSSC1=C(C(=CS1)C)C

  • Odor profile

    Meaty 72.92%
    Roasted 72.01%
    Sulfurous 66.52%
    Onion 49.4%
    Savory 47.81%
    Cooked 42.13%
    Coffee 39.79%
    Beefy 37.91%
    Burnt 35.69%
    Garlic 35.27%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    5.43 (weak acid)

    Molecular weight
    218.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point est.
    126.76 ˚C

  • Synonyms

    • 3,4-dimethyl-2-(propyldisulfanyl)thiophene
    • GQTMTKKPPSGWKQ-UHFFFAOYSA-N
    • 2-(Propyldithio)-3,4-dimethylthiophen
    • n-Propyl 3,4-dimethyl-2-thienyl disulfide
    • Thiophene, 3,4-dimethyl-2-(propyldithio)-
    • S-[2-((2-[5-(Trimethylsilyl)-2-thienyl]ethyl)amino)ethyl] hydrogen thiosulfate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 482.94
    methanol 280.88
    isopropanol 416.62
    water 0.11
    ethyl acetate 2167.04
    n-propanol 491.08
    acetone 3885.96
    n-butanol 562.88
    acetonitrile 1214.18
    DMF 5038.88
    toluene 3092.28
    isobutanol 453.67
    1,4-dioxane 5654.35
    methyl acetate 2074.72
    THF 5830.2
    2-butanone 2493.72
    n-pentanol 418.48
    sec-butanol 463.97
    n-hexane 144.46
    ethylene glycol 67.57
    NMP 3991.32
    cyclohexane 657.21
    DMSO 2214.52
    n-butyl acetate 1977.06
    n-octanol 341.7
    chloroform 4476.86
    n-propyl acetate 1277.45
    acetic acid 608.26
    dichloromethane 4413.08
    cyclohexanone 5399.78
    propylene glycol 138.56
    isopropyl acetate 1429.04
    DMAc 3237.85
    2-ethoxyethanol 752.85
    isopentanol 570.72
    n-heptane 183.53
    ethyl formate 1066.26
    1,2-dichloroethane 3569.44
    n-hexanol 630.44
    2-methoxyethanol 1135.74
    isobutyl acetate 924.1
    tetrachloromethane 965.22
    n-pentyl acetate 1094.05
    transcutol 2524.62
    n-heptanol 311.98
    ethylbenzene 857.56
    MIBK 1165.0
    2-propoxyethanol 1136.73
    tert-butanol 713.58
    MTBE 1624.9
    2-butoxyethanol 604.4
    propionic acid 522.07
    o-xylene 1176.14
    formic acid 89.82
    diethyl ether 1897.2
    m-xylene 1258.94
    p-xylene 1244.87
    chlorobenzene 2901.2
    dimethyl carbonate 926.36
    n-octane 91.69
    formamide 295.89
    cyclopentanone 5479.2
    2-pentanone 2212.88
    anisole 1784.01
    cyclopentyl methyl ether 2636.0
    gamma-butyrolactone 4197.49
    1-methoxy-2-propanol 864.01
    pyridine 5307.65
    3-pentanone 1865.15
    furfural 3506.27
    n-dodecane 68.95
    diethylene glycol 579.49
    diisopropyl ether 623.12
    tert-amyl alcohol 628.71
    acetylacetone 3069.44
    n-hexadecane 86.2
    acetophenone 1583.3
    methyl propionate 1617.67
    isopentyl acetate 1689.62
    trichloroethylene 7005.48
    n-nonanol 329.04
    cyclohexanol 1044.2
    benzyl alcohol 996.83
    2-ethylhexanol 534.99
    isooctanol 296.79
    dipropyl ether 1003.68
    1,2-dichlorobenzene 2184.14
    ethyl lactate 347.84
    propylene carbonate 2062.5
    n-methylformamide 1080.51
    2-pentanol 429.3
    n-pentane 158.45
    1-propoxy-2-propanol 908.6
    1-methoxy-2-propyl acetate 1859.12
    2-(2-methoxypropoxy) propanol 716.85
    mesitylene 732.68
    ε-caprolactone 3185.59
    p-cymene 531.4
    epichlorohydrin 4782.29
    1,1,1-trichloroethane 3596.31
    2-aminoethanol 162.58
    morpholine-4-carbaldehyde 4550.05
    sulfolane 3866.93
    2,2,4-trimethylpentane 113.92
    2-methyltetrahydrofuran 3974.22
    n-hexyl acetate 1175.37
    isooctane 100.05
    2-(2-butoxyethoxy)ethanol 946.29
    sec-butyl acetate 900.43
    tert-butyl acetate 1681.83
    decalin 242.69
    glycerin 202.17
    diglyme 2167.79
    acrylic acid 466.96
    isopropyl myristate 520.66
    n-butyric acid 943.82
    acetyl acetate 1525.98
    di(2-ethylhexyl) phthalate 459.74
    ethyl propionate 968.88
    nitromethane 2194.28
    1,2-diethoxyethane 1936.6
    benzonitrile 1982.17
    trioctyl phosphate 301.72
    1-bromopropane 1577.85
    gamma-valerolactone 6316.97
    n-decanol 257.51
    triethyl phosphate 489.57
    4-methyl-2-pentanol 301.99
    propionitrile 983.66
    vinylene carbonate 2107.23
    1,1,2-trichlorotrifluoroethane 1829.4
    DMS 1199.35
    cumene 461.84
    2-octanol 279.32
    2-hexanone 1353.65
    octyl acetate 606.47
    limonene 859.44
    1,2-dimethoxyethane 2521.1
    ethyl orthosilicate 491.64
    tributyl phosphate 409.79
    diacetone alcohol 1109.1
    N,N-dimethylaniline 996.8
    acrylonitrile 1233.23
    aniline 1748.92
    1,3-propanediol 360.95
    bromobenzene 3736.1
    dibromomethane 2761.27
    1,1,2,2-tetrachloroethane 4646.28
    2-methyl-cyclohexyl acetate 969.13
    tetrabutyl urea 599.08
    diisobutyl methanol 359.01
    2-phenylethanol 1059.9
    styrene 1377.18
    dioctyl adipate 680.12
    dimethyl sulfate 1300.24
    ethyl butyrate 1208.18
    methyl lactate 458.08
    butyl lactate 593.81
    diethyl carbonate 746.43
    propanediol butyl ether 498.35
    triethyl orthoformate 855.94
    p-tert-butyltoluene 538.52
    methyl 4-tert-butylbenzoate 903.67
    morpholine 4850.95
    tert-butylamine 484.77
    n-dodecanol 211.66
    dimethoxymethane 2415.69
    ethylene carbonate 1804.46
    cyrene 964.91
    2-ethoxyethyl acetate 1720.86
    2-ethylhexyl acetate 1491.97
    1,2,4-trichlorobenzene 2557.6
    4-methylpyridine 5509.99
    dibutyl ether 843.98
    2,6-dimethyl-4-heptanol 359.01
    DEF 2608.73
    dimethyl isosorbide 1775.75
    tetrachloroethylene 2792.78
    eugenol 854.41
    triacetin 1068.49
    span 80 678.22
    1,4-butanediol 168.66
    1,1-dichloroethane 3008.35
    2-methyl-1-pentanol 455.19
    methyl formate 1080.78
    2-methyl-1-butanol 526.14
    n-decane 114.57
    butyronitrile 1148.51
    3,7-dimethyl-1-octanol 401.12
    1-chlorooctane 438.92
    1-chlorotetradecane 198.78
    n-nonane 111.85
    undecane 86.05
    tert-butylcyclohexane 187.91
    cyclooctane 226.05
    cyclopentanol 947.34
    tetrahydropyran 4670.53
    tert-amyl methyl ether 1206.53
    2,5,8-trioxanonane 1406.78
    1-hexene 528.54
    2-isopropoxyethanol 602.14
    2,2,2-trifluoroethanol 260.21
    methyl butyrate 1375.79

    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 0.25%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.17%