3-(4-Methylpent-3-enyl)thiophene

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  • Identifiers

    CAS number
    62429-57-6

    Molecular formula
    C10H14S

    SMILES
    CC(=CCCC1=CSC=C1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 45.87%
    Floral 41.08%
    Citrus 39.39%
    Fruity 35.96%
    Roasted 34.26%
    Tropical 31.9%
    Fresh 31.82%
    Herbal 30.91%
    Meaty 30.86%
    Woody 30.48%

     

    Flavor
    Green 52.18%
    Woody 43.62%
    Citrus 39.13%
    Floral 36.59%
    Spicy 36.34%
    Wood 34.76%
    Fruity 34.15%
    Herbal 30.44%
    Fresh 27.52%
    Nutty 27.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.49 (weak base)

    Molecular weight
    166.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    226°C

    Flash point

    • 66.84 ˚C est.

  • Synonyms

    • 3-(4-Methylpent-3-enyl)thiophene
    • 3-(4-Methyl-3-pentenyl)thiophene
    • 62429-57-6
    • 3-(4-methylpent-3-en-1-yl)thiophene
    • SCHEMBL9438495
    • DTXSID60340616
    • CHEBI:166584
    • 3-(4-methylpent-3-enyl) thiophene
    • 3-(4-methyl-pent-3-enyl)-thiophene
    • 3-(4-Methyl-3-pentenyl)thiophene #
    • DB-303889
    • 62429-57-6

  • Applications

    3-(4-Methylpent-3-enyl)thiophene (CAS 62429-57-6) is a versatile building block for organic synthesis and is commonly explored as an odorant in perfumery and fragrance formulations, with potential use in cosmetics as part of fragrance systems. It also serves as an intermediate for thiophene-containing polymers and for specialty coatings or inks, and is evaluated for applications in electronic materials. In industrial manufacturing, it may be employed as a synthetic precursor under controlled conditions, with its exact role depending on formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 141.91
    methanol 89.98
    isopropanol 92.15
    water 0.05
    ethyl acetate 380.43
    n-propanol 129.82
    acetone 280.09
    n-butanol 158.93
    acetonitrile 110.65
    DMF 147.78
    toluene 516.5
    isobutanol 94.24
    1,4-dioxane 955.16
    methyl acetate 234.65
    THF 815.63
    2-butanone 317.33
    n-pentanol 133.87
    sec-butanol 123.51
    n-hexane 113.08
    ethylene glycol 17.73
    NMP 248.93
    cyclohexane 235.13
    DMSO 161.75
    n-butyl acetate 428.88
    n-octanol 93.19
    chloroform 847.88
    n-propyl acetate 218.12
    acetic acid 97.02
    dichloromethane 576.94
    cyclohexanone 453.93
    propylene glycol 39.89
    isopropyl acetate 270.21
    DMAc 285.04
    2-ethoxyethanol 202.04
    isopentanol 140.63
    n-heptane 122.58
    ethyl formate 96.47
    1,2-dichloroethane 429.42
    n-hexanol 240.09
    2-methoxyethanol 226.92
    isobutyl acetate 183.95
    tetrachloromethane 144.51
    n-pentyl acetate 161.84
    transcutol 1243.73
    n-heptanol 93.77
    ethylbenzene 208.34
    MIBK 206.89
    2-propoxyethanol 368.25
    tert-butanol 151.59
    MTBE 417.51
    2-butoxyethanol 170.73
    propionic acid 83.63
    o-xylene 240.19
    formic acid 18.01
    diethyl ether 636.76
    m-xylene 250.41
    p-xylene 216.59
    chlorobenzene 354.56
    dimethyl carbonate 81.49
    n-octane 32.26
    formamide 31.44
    cyclopentanone 370.46
    2-pentanone 291.46
    anisole 372.81
    cyclopentyl methyl ether 501.49
    gamma-butyrolactone 265.0
    1-methoxy-2-propanol 197.28
    pyridine 598.99
    3-pentanone 302.05
    furfural 290.6
    n-dodecane 21.0
    diethylene glycol 164.96
    diisopropyl ether 220.71
    tert-amyl alcohol 163.92
    acetylacetone 333.45
    n-hexadecane 25.48
    acetophenone 254.83
    methyl propionate 205.35
    isopentyl acetate 379.71
    trichloroethylene 794.17
    n-nonanol 98.61
    cyclohexanol 196.18
    benzyl alcohol 174.52
    2-ethylhexanol 201.36
    isooctanol 83.89
    dipropyl ether 484.16
    1,2-dichlorobenzene 290.22
    ethyl lactate 75.14
    propylene carbonate 188.88
    n-methylformamide 55.36
    2-pentanol 127.21
    n-pentane 96.58
    1-propoxy-2-propanol 300.76
    1-methoxy-2-propyl acetate 434.02
    2-(2-methoxypropoxy) propanol 261.63
    mesitylene 159.88
    ε-caprolactone 346.49
    p-cymene 150.24
    epichlorohydrin 483.29
    1,1,1-trichloroethane 467.33
    2-aminoethanol 49.47
    morpholine-4-carbaldehyde 418.99
    sulfolane 271.32
    2,2,4-trimethylpentane 53.38
    2-methyltetrahydrofuran 650.03
    n-hexyl acetate 231.73
    isooctane 42.64
    2-(2-butoxyethoxy)ethanol 337.54
    sec-butyl acetate 208.5
    tert-butyl acetate 337.65
    decalin 94.41
    glycerin 54.2
    diglyme 692.66
    acrylic acid 65.75
    isopropyl myristate 127.11
    n-butyric acid 163.7
    acetyl acetate 253.1
    di(2-ethylhexyl) phthalate 111.59
    ethyl propionate 190.51
    nitromethane 149.58
    1,2-diethoxyethane 664.63
    benzonitrile 196.57
    trioctyl phosphate 63.51
    1-bromopropane 359.16
    gamma-valerolactone 470.34
    n-decanol 75.61
    triethyl phosphate 142.42
    4-methyl-2-pentanol 95.29
    propionitrile 136.29
    vinylene carbonate 155.72
    1,1,2-trichlorotrifluoroethane 296.89
    DMS 207.29
    cumene 127.47
    2-octanol 61.87
    2-hexanone 248.45
    octyl acetate 140.71
    limonene 244.63
    1,2-dimethoxyethane 462.0
    ethyl orthosilicate 158.04
    tributyl phosphate 88.55
    diacetone alcohol 218.5
    N,N-dimethylaniline 225.65
    acrylonitrile 109.62
    aniline 293.34
    1,3-propanediol 80.94
    bromobenzene 440.11
    dibromomethane 459.67
    1,1,2,2-tetrachloroethane 683.64
    2-methyl-cyclohexyl acetate 272.43
    tetrabutyl urea 118.6
    diisobutyl methanol 122.69
    2-phenylethanol 233.37
    styrene 272.5
    dioctyl adipate 182.18
    dimethyl sulfate 102.54
    ethyl butyrate 315.91
    methyl lactate 70.7
    butyl lactate 101.64
    diethyl carbonate 197.6
    propanediol butyl ether 119.67
    triethyl orthoformate 276.33
    p-tert-butyltoluene 153.82
    methyl 4-tert-butylbenzoate 202.38
    morpholine 791.47
    tert-butylamine 130.51
    n-dodecanol 62.78
    dimethoxymethane 251.76
    ethylene carbonate 152.19
    cyrene 191.24
    2-ethoxyethyl acetate 291.54
    2-ethylhexyl acetate 349.19
    1,2,4-trichlorobenzene 382.37
    4-methylpyridine 504.67
    dibutyl ether 276.68
    2,6-dimethyl-4-heptanol 122.69
    DEF 279.31
    dimethyl isosorbide 454.5
    tetrachloroethylene 439.48
    eugenol 166.71
    triacetin 251.57
    span 80 212.26
    1,4-butanediol 38.91
    1,1-dichloroethane 401.99
    2-methyl-1-pentanol 145.46
    methyl formate 45.25
    2-methyl-1-butanol 140.21
    n-decane 37.9
    butyronitrile 162.64
    3,7-dimethyl-1-octanol 127.21
    1-chlorooctane 123.62
    1-chlorotetradecane 56.8
    n-nonane 37.76
    undecane 26.7
    tert-butylcyclohexane 77.78
    cyclooctane 98.23
    cyclopentanol 135.61
    tetrahydropyran 935.82
    tert-amyl methyl ether 358.13
    2,5,8-trioxanonane 484.19
    1-hexene 260.33
    2-isopropoxyethanol 173.72
    2,2,2-trifluoroethanol 30.56
    methyl butyrate 204.56

    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