Tetrahydro-2-methyl-5-(1-methylethyl)-2-thiopheneethanol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1612888-42-2

    Molecular formula
    C10H20OS

    SMILES
    CC(C)C1CCC(S1)(C)CCO

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 67.24%
    Tropical 64.96%
    Grapefruit 49.24%
    Green 48.41%
    Black currant 45.38%
    Meaty 43.69%
    Fruity 38.9%
    Onion 38.25%
    Roasted 36.53%
    Mint 33.79%

     

    Flavor
    Green 58.24%
    Tropical 50.68%
    Sulfurous 45.11%
    Minty 39.97%
    Vegetable 33.05%
    Herbal 29.74%
    Sulfury 28.92%
    Earthy 28.25%
    Roasted 25.63%
    Metallic 24.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.12 (neutral)

    Molecular weight
    188.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    279°C

    Flash point

    • 121.7 ˚C est.

  • Synonyms

    • SCHEMBL17164364
    • XFOGVCZMBNJHTB-UHFFFAOYSA-N
    • DTXSID801372963
    • Tetrahydro-2-methyl-5-(1-methylethyl)-2-thiopheneethanol
    • 1612888-42-2
    • 1612888-42-2

  • Applications

    Chemical name: Tetrahydro-2-methyl-5-(1-methylethyl)-2-thiopheneethanol; CAS 1612888-42-2. This compound is primarily used as an organic synthesis intermediate with real-world relevance in fragrance and cosmetics, where it can act as an odorant or fragrance precursor. In perfumery, it may contribute to notes with thiophene and woody character. In cosmetics and personal care, it may be used as a fragrance ingredient or building block to develop scent formulations. As a chiral building block, it is often evaluated as a precursor for pharmaceutical or agrochemical synthesis. Additionally, it can serve as a specialty intermediate in polymer and materials chemistry, enabling synthesis of functional monomers or additives for industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2441.21
    methanol 1840.94
    isopropanol 2449.9
    water 1.79
    ethyl acetate 2646.54
    n-propanol 2378.87
    acetone 3978.69
    n-butanol 2053.5
    acetonitrile 2111.72
    DMF 2722.63
    toluene 1098.73
    isobutanol 1738.8
    1,4-dioxane 3519.54
    methyl acetate 2265.63
    THF 6643.82
    2-butanone 3106.94
    n-pentanol 904.75
    sec-butanol 1679.16
    n-hexane 82.97
    ethylene glycol 428.4
    NMP 1795.85
    cyclohexane 291.94
    DMSO 2988.58
    n-butyl acetate 1976.9
    n-octanol 659.4
    chloroform 3787.4
    n-propyl acetate 1394.14
    acetic acid 1241.8
    dichloromethane 2723.48
    cyclohexanone 3497.99
    propylene glycol 811.69
    isopropyl acetate 1834.87
    DMAc 1360.27
    2-ethoxyethanol 1284.03
    isopentanol 1646.02
    n-heptane 101.75
    ethyl formate 1544.21
    1,2-dichloroethane 1919.77
    n-hexanol 1499.75
    2-methoxyethanol 2777.72
    isobutyl acetate 917.65
    tetrachloromethane 843.69
    n-pentyl acetate 999.48
    transcutol 4020.8
    n-heptanol 664.02
    ethylbenzene 406.2
    MIBK 1571.81
    2-propoxyethanol 2359.61
    tert-butanol 2699.19
    MTBE 2472.81
    2-butoxyethanol 1213.67
    propionic acid 1540.25
    o-xylene 531.63
    formic acid 402.75
    diethyl ether 2084.02
    m-xylene 742.12
    p-xylene 515.59
    chlorobenzene 1418.05
    dimethyl carbonate 798.47
    n-octane 41.51
    formamide 715.36
    cyclopentanone 4642.95
    2-pentanone 2650.36
    anisole 1092.66
    cyclopentyl methyl ether 2370.76
    gamma-butyrolactone 4484.17
    1-methoxy-2-propanol 2492.13
    pyridine 2379.53
    3-pentanone 1552.66
    furfural 2985.29
    n-dodecane 31.77
    diethylene glycol 1393.46
    diisopropyl ether 679.37
    tert-amyl alcohol 1696.75
    acetylacetone 2518.08
    n-hexadecane 39.04
    acetophenone 884.8
    methyl propionate 1895.49
    isopentyl acetate 1654.26
    trichloroethylene 3743.01
    n-nonanol 534.05
    cyclohexanol 1702.5
    benzyl alcohol 802.09
    2-ethylhexanol 775.27
    isooctanol 544.43
    dipropyl ether 922.2
    1,2-dichlorobenzene 1137.45
    ethyl lactate 558.87
    propylene carbonate 2239.45
    n-methylformamide 1988.59
    2-pentanol 1337.76
    n-pentane 126.26
    1-propoxy-2-propanol 1764.84
    1-methoxy-2-propyl acetate 1862.18
    2-(2-methoxypropoxy) propanol 832.2
    mesitylene 452.45
    ε-caprolactone 2732.91
    p-cymene 342.67
    epichlorohydrin 4151.29
    1,1,1-trichloroethane 2540.72
    2-aminoethanol 992.81
    morpholine-4-carbaldehyde 2252.75
    sulfolane 3861.46
    2,2,4-trimethylpentane 88.81
    2-methyltetrahydrofuran 3837.36
    n-hexyl acetate 1304.32
    isooctane 97.44
    2-(2-butoxyethoxy)ethanol 1262.96
    sec-butyl acetate 1003.01
    tert-butyl acetate 1978.75
    decalin 99.65
    glycerin 930.04
    diglyme 2392.56
    acrylic acid 1049.64
    isopropyl myristate 418.54
    n-butyric acid 2498.89
    acetyl acetate 1398.02
    di(2-ethylhexyl) phthalate 353.38
    ethyl propionate 1096.85
    nitromethane 2795.47
    1,2-diethoxyethane 1419.48
    benzonitrile 1270.17
    trioctyl phosphate 299.11
    1-bromopropane 1145.17
    gamma-valerolactone 4958.93
    n-decanol 358.32
    triethyl phosphate 403.6
    4-methyl-2-pentanol 822.45
    propionitrile 2020.16
    vinylene carbonate 1922.91
    1,1,2-trichlorotrifluoroethane 2051.57
    DMS 814.09
    cumene 268.4
    2-octanol 479.8
    2-hexanone 1347.88
    octyl acetate 554.25
    limonene 541.56
    1,2-dimethoxyethane 2159.33
    ethyl orthosilicate 408.13
    tributyl phosphate 383.59
    diacetone alcohol 1838.55
    N,N-dimethylaniline 549.85
    acrylonitrile 2005.88
    aniline 1481.78
    1,3-propanediol 1562.7
    bromobenzene 1407.16
    dibromomethane 1822.54
    1,1,2,2-tetrachloroethane 2775.46
    2-methyl-cyclohexyl acetate 754.69
    tetrabutyl urea 414.6
    diisobutyl methanol 502.36
    2-phenylethanol 1045.89
    styrene 516.87
    dioctyl adipate 521.45
    dimethyl sulfate 1037.2
    ethyl butyrate 1096.91
    methyl lactate 879.97
    butyl lactate 819.83
    diethyl carbonate 637.51
    propanediol butyl ether 1126.74
    triethyl orthoformate 727.64
    p-tert-butyltoluene 375.46
    methyl 4-tert-butylbenzoate 793.82
    morpholine 3764.28
    tert-butylamine 1559.62
    n-dodecanol 244.17
    dimethoxymethane 2249.35
    ethylene carbonate 1840.93
    cyrene 728.29
    2-ethoxyethyl acetate 1273.1
    2-ethylhexyl acetate 1177.75
    1,2,4-trichlorobenzene 1349.57
    4-methylpyridine 2305.04
    dibutyl ether 709.51
    2,6-dimethyl-4-heptanol 502.36
    DEF 1601.49
    dimethyl isosorbide 1382.67
    tetrachloroethylene 1747.79
    eugenol 729.88
    triacetin 1012.27
    span 80 776.06
    1,4-butanediol 495.83
    1,1-dichloroethane 2602.53
    2-methyl-1-pentanol 744.62
    methyl formate 1625.43
    2-methyl-1-butanol 1362.29
    n-decane 66.29
    butyronitrile 2364.42
    3,7-dimethyl-1-octanol 657.83
    1-chlorooctane 394.85
    1-chlorotetradecane 116.21
    n-nonane 63.48
    undecane 43.93
    tert-butylcyclohexane 101.79
    cyclooctane 101.35
    cyclopentanol 1964.64
    tetrahydropyran 4027.11
    tert-amyl methyl ether 1241.05
    2,5,8-trioxanonane 1214.34
    1-hexene 394.38
    2-isopropoxyethanol 969.47
    2,2,2-trifluoroethanol 622.31
    methyl butyrate 1428.36

    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