2-Thiopheneethanol

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  • Identifiers

    CAS number
    5402-55-1

    Molecular formula
    C6H8OS

    SMILES
    C1=CSC(=C1)CCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 63.39%
    Roasted 54.02%
    Meaty 52.07%
    Burnt 51.42%
    Coffee 49.37%
    Fruity 43.55%
    Savory 36.09%
    Alliaceous 34.19%
    Caramellic 33.44%
    Nutty 32.32%

     

    Flavor
    Sweet 46.93%
    Coffee 40.91%
    Bitter 40.86%
    Sulfurous 38.43%
    Roasted 33.61%
    Fatty 31.77%
    Vegetable 30.57%
    Alcoholic 29.1%
    Musty 28.16%
    Sulfur 27.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.69 (neutral)

    Molecular weight
    128.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 87.48 ˚C est.

  • Synonyms

    • 2-Thiopheneethanol
    • 5402-55-1
    • 2-(2-Thienyl)ethanol
    • 2-(2-Hydroxyethyl)thiophene
    • Thiophen-2-ethanol
    • Ethanol, 2-(2-thienyl)-
    • NSC 5136
    • EINECS 226-452-0
    • DTXSID2063840
    • EC 226-452-0
    • RefChem:483791
    • DTXCID4041573
    • 226-452-0
    • Thiophene-2-ethanol
    • 2-(thiophen-2-yl)ethanol
    • 2-(THIOPHEN-2-YL)ETHAN-1-OL
    • 2-thiophen-2-ylethanol
    • 2-THIOPHENETHANOL
    • MFCD00005462
    • 2-(2-Thienyl)-ethanol
    • NSC-5136
    • 2-(2-thienyl)ethan-1-ol
    • 2-thiophen-2-yl-ethanol
    • 2-(2-Hydroxyethyl)thiofuran
    • Thiopheneethanol
    • thiophene ethanol
    • NSC5136
    • 2-thiophene ethanol
    • 2-thiophene-ethanol
    • 2-Thiopheneethanol, 98%
    • 332ZDU4HDC
    • 2-(thiophen-2-yl) ethanol
    • BIDD:GT0601
    • SCHEMBL150607
    • SCHEMBL150608
    • orb3030261
    • SCHEMBL10461137
    • SCHEMBL28824213
    • 2-(thiophen-2-yl)ethyl alcohol
    • VMJOFTHFJMLIKL-UHFFFAOYSA-
    • CHEBI:195139
    • SBB062831
    • AKOS003382008
    • AC-6274
    • CS-W020421
    • PB32074
    • PS-5774
    • SY001832
    • DB-015975
    • NS00003788
    • ST45024410
    • T1021
    • EN300-55025
    • P10012
    • F208753
    • F0001-1418
    • Z397587354
    • InChI=1/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2
    • 5402-55-1

  • Applications

    2-Thiopheneethanol is a functionalized thiophene derivative that is mainly used as a chemical intermediate across several industries. It is commonly employed as a building block for thiophene-containing compounds in pharmaceuticals and dyes, and can be converted into fragrance and cosmetic ingredients through functionalization of the hydroxyl group (e.g., esterification). It also serves as a precursor for polymers and coatings, where the hydroxyethyl group enables grafting or crosslinking to tailor adhesion and material properties. In polymer research, 2-Thiopheneethanol may function as a functional thiophene unit for specialty polymers and conductive polymer systems, and can support surface modification and formulation work in inks and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1086.41
    methanol 1352.76
    isopropanol 645.19
    water 33.67
    ethyl acetate 371.46
    n-propanol 708.36
    acetone 809.41
    n-butanol 501.25
    acetonitrile 485.53
    DMF 2075.97
    toluene 217.18
    isobutanol 412.38
    1,4-dioxane 1070.33
    methyl acetate 426.64
    THF 1097.31
    2-butanone 471.52
    n-pentanol 325.27
    sec-butanol 404.42
    n-hexane 16.19
    ethylene glycol 615.79
    NMP 926.48
    cyclohexane 27.18
    DMSO 1715.37
    n-butyl acetate 194.79
    n-octanol 158.62
    chloroform 841.74
    n-propyl acetate 213.77
    acetic acid 602.94
    dichloromethane 613.27
    cyclohexanone 605.29
    propylene glycol 473.15
    isopropyl acetate 190.94
    DMAc 806.16
    2-ethoxyethanol 629.28
    isopentanol 291.32
    n-heptane 29.61
    ethyl formate 301.99
    1,2-dichloroethane 402.66
    n-hexanol 345.17
    2-methoxyethanol 1189.78
    isobutyl acetate 151.66
    tetrachloromethane 160.42
    n-pentyl acetate 133.36
    transcutol 803.09
    n-heptanol 174.69
    ethylbenzene 68.21
    MIBK 239.41
    2-propoxyethanol 653.07
    tert-butanol 538.52
    MTBE 264.68
    2-butoxyethanol 328.82
    propionic acid 491.9
    o-xylene 114.74
    formic acid 480.96
    diethyl ether 335.29
    m-xylene 142.21
    p-xylene 86.88
    chlorobenzene 254.61
    dimethyl carbonate 220.03
    n-octane 12.68
    formamide 588.35
    cyclopentanone 825.33
    2-pentanone 400.69
    anisole 249.78
    cyclopentyl methyl ether 409.38
    gamma-butyrolactone 803.26
    1-methoxy-2-propanol 761.87
    pyridine 631.68
    3-pentanone 263.45
    furfural 788.74
    n-dodecane 12.8
    diethylene glycol 754.95
    diisopropyl ether 87.87
    tert-amyl alcohol 330.98
    acetylacetone 437.44
    n-hexadecane 14.4
    acetophenone 211.67
    methyl propionate 351.23
    isopentyl acetate 151.75
    trichloroethylene 769.02
    n-nonanol 138.76
    cyclohexanol 339.24
    benzyl alcohol 247.29
    2-ethylhexanol 160.49
    isooctanol 134.88
    dipropyl ether 181.74
    1,2-dichlorobenzene 196.75
    ethyl lactate 161.99
    propylene carbonate 348.29
    n-methylformamide 955.11
    2-pentanol 263.16
    n-pentane 22.71
    1-propoxy-2-propanol 387.7
    1-methoxy-2-propyl acetate 250.02
    2-(2-methoxypropoxy) propanol 254.24
    mesitylene 87.88
    ε-caprolactone 415.32
    p-cymene 63.55
    epichlorohydrin 759.45
    1,1,1-trichloroethane 378.65
    2-aminoethanol 763.8
    morpholine-4-carbaldehyde 1067.27
    sulfolane 935.84
    2,2,4-trimethylpentane 17.52
    2-methyltetrahydrofuran 570.93
    n-hexyl acetate 174.41
    isooctane 17.93
    2-(2-butoxyethoxy)ethanol 365.65
    sec-butyl acetate 125.83
    tert-butyl acetate 210.78
    decalin 19.13
    glycerin 732.72
    diglyme 634.17
    acrylic acid 471.43
    isopropyl myristate 83.23
    n-butyric acid 455.27
    acetyl acetate 198.93
    di(2-ethylhexyl) phthalate 90.76
    ethyl propionate 175.69
    nitromethane 950.21
    1,2-diethoxyethane 240.95
    benzonitrile 256.9
    trioctyl phosphate 73.65
    1-bromopropane 209.16
    gamma-valerolactone 1039.57
    n-decanol 109.33
    triethyl phosphate 81.47
    4-methyl-2-pentanol 151.29
    propionitrile 360.56
    vinylene carbonate 383.26
    1,1,2-trichlorotrifluoroethane 632.15
    DMS 148.26
    cumene 56.27
    2-octanol 110.48
    2-hexanone 230.99
    octyl acetate 104.64
    limonene 97.59
    1,2-dimethoxyethane 677.32
    ethyl orthosilicate 79.63
    tributyl phosphate 76.9
    diacetone alcohol 346.72
    N,N-dimethylaniline 164.5
    acrylonitrile 481.99
    aniline 343.83
    1,3-propanediol 711.4
    bromobenzene 224.53
    dibromomethane 383.46
    1,1,2,2-tetrachloroethane 540.58
    2-methyl-cyclohexyl acetate 118.36
    tetrabutyl urea 118.7
    diisobutyl methanol 98.79
    2-phenylethanol 236.61
    styrene 103.4
    dioctyl adipate 111.04
    dimethyl sulfate 390.46
    ethyl butyrate 147.49
    methyl lactate 297.15
    butyl lactate 143.31
    diethyl carbonate 96.36
    propanediol butyl ether 293.12
    triethyl orthoformate 106.06
    p-tert-butyltoluene 67.51
    methyl 4-tert-butylbenzoate 195.79
    morpholine 1064.64
    tert-butylamine 277.4
    n-dodecanol 85.35
    dimethoxymethane 786.57
    ethylene carbonate 317.05
    cyrene 280.35
    2-ethoxyethyl acetate 195.51
    2-ethylhexyl acetate 117.38
    1,2,4-trichlorobenzene 232.61
    4-methylpyridine 538.54
    dibutyl ether 117.58
    2,6-dimethyl-4-heptanol 98.79
    DEF 464.07
    dimethyl isosorbide 335.6
    tetrachloroethylene 414.38
    eugenol 232.77
    triacetin 163.35
    span 80 240.04
    1,4-butanediol 350.7
    1,1-dichloroethane 444.69
    2-methyl-1-pentanol 199.47
    methyl formate 602.83
    2-methyl-1-butanol 283.73
    n-decane 20.09
    butyronitrile 334.97
    3,7-dimethyl-1-octanol 131.79
    1-chlorooctane 81.53
    1-chlorotetradecane 37.42
    n-nonane 18.37
    undecane 15.54
    tert-butylcyclohexane 21.63
    cyclooctane 12.93
    cyclopentanol 437.84
    tetrahydropyran 649.73
    tert-amyl methyl ether 178.46
    2,5,8-trioxanonane 453.56
    1-hexene 80.59
    2-isopropoxyethanol 370.32
    2,2,2-trifluoroethanol 305.81
    methyl butyrate 231.71

    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