4,5-Dihydro-5-methyl-3-thiophenethiol

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  • Identifiers

    CAS number
    26486-15-7

    Molecular formula
    C5H8S2

    SMILES
    CC1CC(=CS1)S

    Safety labels

  • Odor profile

    Fragrance
    Meaty 74.03%
    Sulfurous 68.24%
    Roasted 61.74%
    Onion 49.72%
    Cooked 42.47%
    Garlic 40.47%
    Savory 39.11%
    Beefy 38.06%
    Alliaceous 34.76%
    Burnt 26.1%

     

    Flavor
    Sulfurous 51.52%
    Roasted 49.48%
    Meaty 42.85%
    Onion 38.24%
    Alliaceous 33.29%
    Garlic 31.21%
    Sulfury 29.99%
    Sulfur 28.61%
    Cooked 28.03%
    Vegetable 26.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.2 (neutral)

    Molecular weight
    132.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    187°C

    Flash point

    • 70.87 ˚C est.

  • Synonyms

    • 4,5-Dihydro-5-methyl-3-thiophenethiol
    • 5-methyl-4,5-dihydrothiophene-3-thiol
    • 26486-15-7
    • RefChem:96485
    • CHEBI:173529
    • DTXSID701285692
    • 2-methyl-2,3-dihydrothiophene-4-thiol
    • 4-Mercapto-2-methyl-2,3-dihydrothiophene
    • 26486-15-7

  • Applications

    4,5-Dihydro-5-methyl-3-thiophenethiol (CAS 26486-15-7) is a sulfur-containing compound with odorant properties; in perfumery and cosmetics/personal care it may be used as an aroma ingredient or scent modifier; in select food flavor applications it may be evaluated as a flavor-active note under appropriate regulatory constraints; in industrial manufacturing it can serve as a building block or intermediate for sulfur-containing heterocycles and specialty polymers; in cleaning and household products it can function as a scent additive to impart sulfurous notes; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 768.83
    methanol 691.79
    isopropanol 494.02
    water 5.22
    ethyl acetate 555.0
    n-propanol 531.09
    acetone 885.44
    n-butanol 538.38
    acetonitrile 477.87
    DMF 555.79
    toluene 389.32
    isobutanol 368.49
    1,4-dioxane 1108.45
    methyl acetate 510.9
    THF 1335.01
    2-butanone 660.23
    n-pentanol 387.37
    sec-butanol 416.79
    n-hexane 69.32
    ethylene glycol 182.78
    NMP 604.32
    cyclohexane 120.6
    DMSO 583.72
    n-butyl acetate 559.01
    n-octanol 284.11
    chloroform 996.42
    n-propyl acetate 325.66
    acetic acid 613.13
    dichloromethane 782.93
    cyclohexanone 783.53
    propylene glycol 238.71
    isopropyl acetate 357.47
    DMAc 463.88
    2-ethoxyethanol 579.4
    isopentanol 415.8
    n-heptane 130.97
    ethyl formate 351.94
    1,2-dichloroethane 449.9
    n-hexanol 572.85
    2-methoxyethanol 794.11
    isobutyl acetate 250.65
    tetrachloromethane 241.55
    n-pentyl acetate 329.04
    transcutol 1553.8
    n-heptanol 306.08
    ethylbenzene 133.04
    MIBK 364.35
    2-propoxyethanol 839.17
    tert-butanol 509.25
    MTBE 486.23
    2-butoxyethanol 497.52
    propionic acid 372.27
    o-xylene 192.86
    formic acid 229.5
    diethyl ether 675.38
    m-xylene 251.26
    p-xylene 159.03
    chlorobenzene 367.81
    dimethyl carbonate 202.54
    n-octane 42.2
    formamide 265.17
    cyclopentanone 798.7
    2-pentanone 592.54
    anisole 328.65
    cyclopentyl methyl ether 621.09
    gamma-butyrolactone 733.77
    1-methoxy-2-propanol 614.74
    pyridine 633.07
    3-pentanone 439.05
    furfural 682.51
    n-dodecane 35.89
    diethylene glycol 612.27
    diisopropyl ether 234.0
    tert-amyl alcohol 399.06
    acetylacetone 579.68
    n-hexadecane 40.44
    acetophenone 276.89
    methyl propionate 397.88
    isopentyl acetate 439.42
    trichloroethylene 764.58
    n-nonanol 250.81
    cyclohexanol 456.03
    benzyl alcohol 267.44
    2-ethylhexanol 339.26
    isooctanol 228.29
    dipropyl ether 465.97
    1,2-dichlorobenzene 299.38
    ethyl lactate 166.86
    propylene carbonate 412.92
    n-methylformamide 345.02
    2-pentanol 375.14
    n-pentane 103.85
    1-propoxy-2-propanol 647.68
    1-methoxy-2-propyl acetate 491.41
    2-(2-methoxypropoxy) propanol 419.84
    mesitylene 159.75
    ε-caprolactone 589.44
    p-cymene 153.26
    epichlorohydrin 751.71
    1,1,1-trichloroethane 581.88
    2-aminoethanol 299.52
    morpholine-4-carbaldehyde 773.01
    sulfolane 611.42
    2,2,4-trimethylpentane 56.54
    2-methyltetrahydrofuran 918.55
    n-hexyl acetate 408.2
    isooctane 59.52
    2-(2-butoxyethoxy)ethanol 587.2
    sec-butyl acetate 239.03
    tert-butyl acetate 389.6
    decalin 58.49
    glycerin 337.89
    diglyme 905.34
    acrylic acid 310.72
    isopropyl myristate 187.17
    n-butyric acid 525.24
    acetyl acetate 384.91
    di(2-ethylhexyl) phthalate 174.69
    ethyl propionate 243.32
    nitromethane 719.75
    1,2-diethoxyethane 650.01
    benzonitrile 341.44
    trioctyl phosphate 136.76
    1-bromopropane 390.17
    gamma-valerolactone 965.68
    n-decanol 189.17
    triethyl phosphate 146.51
    4-methyl-2-pentanol 239.79
    propionitrile 363.04
    vinylene carbonate 383.17
    1,1,2-trichlorotrifluoroethane 529.2
    DMS 273.24
    cumene 103.87
    2-octanol 194.67
    2-hexanone 392.19
    octyl acetate 236.74
    limonene 242.83
    1,2-dimethoxyethane 664.25
    ethyl orthosilicate 159.19
    tributyl phosphate 157.78
    diacetone alcohol 430.88
    N,N-dimethylaniline 209.58
    acrylonitrile 353.53
    aniline 380.47
    1,3-propanediol 433.84
    bromobenzene 381.56
    dibromomethane 579.35
    1,1,2,2-tetrachloroethane 573.6
    2-methyl-cyclohexyl acetate 262.44
    tetrabutyl urea 194.14
    diisobutyl methanol 201.71
    2-phenylethanol 354.56
    styrene 174.21
    dioctyl adipate 228.57
    dimethyl sulfate 236.01
    ethyl butyrate 326.68
    methyl lactate 225.13
    butyl lactate 251.55
    diethyl carbonate 198.85
    propanediol butyl ether 434.59
    triethyl orthoformate 258.74
    p-tert-butyltoluene 159.24
    methyl 4-tert-butylbenzoate 292.06
    morpholine 1009.76
    tert-butylamine 336.18
    n-dodecanol 151.22
    dimethoxymethane 584.11
    ethylene carbonate 349.84
    cyrene 348.94
    2-ethoxyethyl acetate 477.51
    2-ethylhexyl acetate 362.75
    1,2,4-trichlorobenzene 368.88
    4-methylpyridine 572.05
    dibutyl ether 314.79
    2,6-dimethyl-4-heptanol 201.71
    DEF 467.24
    dimethyl isosorbide 589.91
    tetrachloroethylene 413.78
    eugenol 297.46
    triacetin 350.98
    span 80 398.26
    1,4-butanediol 230.56
    1,1-dichloroethane 575.26
    2-methyl-1-pentanol 313.12
    methyl formate 288.06
    2-methyl-1-butanol 375.68
    n-decane 59.26
    butyronitrile 440.04
    3,7-dimethyl-1-octanol 261.11
    1-chlorooctane 180.67
    1-chlorotetradecane 87.01
    n-nonane 58.71
    undecane 44.1
    tert-butylcyclohexane 61.2
    cyclooctane 55.26
    cyclopentanol 430.43
    tetrahydropyran 925.51
    tert-amyl methyl ether 358.1
    2,5,8-trioxanonane 669.31
    1-hexene 195.08
    2-isopropoxyethanol 433.38
    2,2,2-trifluoroethanol 244.67
    methyl butyrate 290.46

    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