2,3-Dihydro-5-methyl-3-thiophenethiol

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  • Identifiers

    CAS number
    56079-02-8

    Molecular formula
    C5H8S2

    SMILES
    CC1=CC(CS1)S

  • Odor profile

    Fragrance
    Meaty 79.27%
    Sulfurous 60.71%
    Roasted 60.42%
    Onion 44.46%
    Cooked 40.58%
    Savory 39.42%
    Beefy 39.36%
    Garlic 33.82%
    Alliaceous 30.86%
    Burnt 28.27%

     

    Flavor
    Sulfurous 54.54%
    Roasted 50.65%
    Meaty 44.81%
    Onion 44.55%
    Alliaceous 35.38%
    Garlic 35.34%
    Sulfury 31.61%
    Cooked 30.5%
    Sulfur 29.46%
    Chicken 26.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.55 (neutral)

    Molecular weight
    132.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 71.38 ˚C est.

  • Synonyms

    • 2,3-Dihydro-5-methyl-3-thiophenethiol
    • 5-methyl-2,3-dihydrothiophene-3-thiol
    • 56079-02-8
    • SCHEMBL23838385
    • CHEBI:173527
    • DTXSID201286407
    • 2-methyl-4,5-dihydrothiophen-4-thiol
    • 4-Mercapto-2-methyl-4,5-dihydrothiophene

  • Applications

    2,3-Dihydro-5-methyl-3-thiophenethiol (CAS 56079-02-8) is a sulfur-containing heteroaromatic compound that is primarily considered as an intermediate and fragrance-building block. In perfumery and cosmetics, it may be used as an odorant or fragrance component. In household products, formulators may consider it to contribute to scent profiles. In industrial manufacturing, it is evaluated as a synthetic building block for thiophene-containing compounds used in the manufacture of fine chemicals, agrochemicals, and pharmaceutical intermediates. In coatings and inks, it may function as a reactive precursor or functional modifier to introduce thiophene moieties into coatings or inks. In polymers and plastics, it may serve as a precursor or functionalizing agent for thiophene-containing polymers and conductive materials. In electronics, it is occasionally evaluated as a precursor for organic semiconductors. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 514.82
    methanol 458.02
    isopropanol 348.66
    water 7.13
    ethyl acetate 462.73
    n-propanol 387.04
    acetone 588.32
    n-butanol 383.71
    acetonitrile 352.29
    DMF 425.93
    toluene 303.81
    isobutanol 263.93
    1,4-dioxane 910.93
    methyl acetate 417.55
    THF 930.29
    2-butanone 490.14
    n-pentanol 283.51
    sec-butanol 304.85
    n-hexane 45.63
    ethylene glycol 157.54
    NMP 484.48
    cyclohexane 88.78
    DMSO 443.45
    n-butyl acetate 368.54
    n-octanol 211.43
    chloroform 935.02
    n-propyl acetate 242.72
    acetic acid 489.8
    dichloromethane 668.6
    cyclohexanone 541.81
    propylene glycol 195.45
    isopropyl acetate 276.77
    DMAc 425.08
    2-ethoxyethanol 480.8
    isopentanol 281.17
    n-heptane 85.56
    ethyl formate 275.14
    1,2-dichloroethane 360.67
    n-hexanol 393.62
    2-methoxyethanol 657.27
    isobutyl acetate 180.36
    tetrachloromethane 228.26
    n-pentyl acetate 240.63
    transcutol 1269.76
    n-heptanol 233.72
    ethylbenzene 106.41
    MIBK 254.1
    2-propoxyethanol 625.55
    tert-butanol 349.75
    MTBE 332.96
    2-butoxyethanol 398.03
    propionic acid 312.14
    o-xylene 160.95
    formic acid 209.05
    diethyl ether 506.38
    m-xylene 197.01
    p-xylene 130.74
    chlorobenzene 314.01
    dimethyl carbonate 174.37
    n-octane 30.66
    formamide 254.11
    cyclopentanone 563.6
    2-pentanone 419.23
    anisole 282.58
    cyclopentyl methyl ether 441.49
    gamma-butyrolactone 556.19
    1-methoxy-2-propanol 516.9
    pyridine 545.39
    3-pentanone 336.79
    furfural 556.75
    n-dodecane 26.28
    diethylene glycol 496.26
    diisopropyl ether 165.95
    tert-amyl alcohol 278.96
    acetylacetone 441.82
    n-hexadecane 29.38
    acetophenone 240.09
    methyl propionate 330.19
    isopentyl acetate 276.0
    trichloroethylene 671.65
    n-nonanol 196.38
    cyclohexanol 318.96
    benzyl alcohol 227.63
    2-ethylhexanol 238.18
    isooctanol 168.64
    dipropyl ether 319.92
    1,2-dichlorobenzene 254.99
    ethyl lactate 136.23
    propylene carbonate 310.55
    n-methylformamide 269.75
    2-pentanol 273.92
    n-pentane 72.97
    1-propoxy-2-propanol 476.28
    1-methoxy-2-propyl acetate 372.26
    2-(2-methoxypropoxy) propanol 333.23
    mesitylene 123.27
    ε-caprolactone 444.43
    p-cymene 116.34
    epichlorohydrin 562.11
    1,1,1-trichloroethane 472.25
    2-aminoethanol 255.42
    morpholine-4-carbaldehyde 630.13
    sulfolane 464.99
    2,2,4-trimethylpentane 38.11
    2-methyltetrahydrofuran 623.61
    n-hexyl acetate 289.8
    isooctane 36.37
    2-(2-butoxyethoxy)ethanol 467.0
    sec-butyl acetate 178.23
    tert-butyl acetate 282.75
    decalin 42.04
    glycerin 283.1
    diglyme 736.35
    acrylic acid 264.23
    isopropyl myristate 135.38
    n-butyric acid 396.61
    acetyl acetate 327.75
    di(2-ethylhexyl) phthalate 133.12
    ethyl propionate 197.28
    nitromethane 569.03
    1,2-diethoxyethane 494.66
    benzonitrile 256.56
    trioctyl phosphate 96.16
    1-bromopropane 294.86
    gamma-valerolactone 719.73
    n-decanol 147.03
    triethyl phosphate 112.98
    4-methyl-2-pentanol 172.87
    propionitrile 266.67
    vinylene carbonate 309.32
    1,1,2-trichlorotrifluoroethane 460.81
    DMS 210.05
    cumene 81.84
    2-octanol 144.02
    2-hexanone 277.67
    octyl acetate 175.0
    limonene 175.07
    1,2-dimethoxyethane 519.44
    ethyl orthosilicate 119.64
    tributyl phosphate 108.57
    diacetone alcohol 318.35
    N,N-dimethylaniline 174.91
    acrylonitrile 268.19
    aniline 329.52
    1,3-propanediol 349.25
    bromobenzene 315.77
    dibromomethane 487.69
    1,1,2,2-tetrachloroethane 503.69
    2-methyl-cyclohexyl acetate 191.09
    tetrabutyl urea 135.59
    diisobutyl methanol 138.3
    2-phenylethanol 275.24
    styrene 141.79
    dioctyl adipate 172.92
    dimethyl sulfate 208.18
    ethyl butyrate 239.27
    methyl lactate 190.69
    butyl lactate 180.85
    diethyl carbonate 151.0
    propanediol butyl ether 327.39
    triethyl orthoformate 189.87
    p-tert-butyltoluene 119.23
    methyl 4-tert-butylbenzoate 238.07
    morpholine 813.06
    tert-butylamine 228.97
    n-dodecanol 115.29
    dimethoxymethane 458.8
    ethylene carbonate 274.5
    cyrene 285.13
    2-ethoxyethyl acetate 360.35
    2-ethylhexyl acetate 237.53
    1,2,4-trichlorobenzene 317.07
    4-methylpyridine 455.06
    dibutyl ether 213.12
    2,6-dimethyl-4-heptanol 138.3
    DEF 363.84
    dimethyl isosorbide 438.36
    tetrachloroethylene 373.77
    eugenol 248.2
    triacetin 282.74
    span 80 309.0
    1,4-butanediol 175.68
    1,1-dichloroethane 460.91
    2-methyl-1-pentanol 228.25
    methyl formate 215.73
    2-methyl-1-butanol 267.59
    n-decane 43.22
    butyronitrile 298.45
    3,7-dimethyl-1-octanol 186.8
    1-chlorooctane 131.42
    1-chlorotetradecane 62.11
    n-nonane 41.65
    undecane 32.49
    tert-butylcyclohexane 42.71
    cyclooctane 39.66
    cyclopentanol 310.04
    tetrahydropyran 691.12
    tert-amyl methyl ether 264.57
    2,5,8-trioxanonane 562.76
    1-hexene 132.65
    2-isopropoxyethanol 355.05
    2,2,2-trifluoroethanol 219.23
    methyl butyrate 227.5

    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