2-Thiophenecarboxylic acid, propyl ester

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  • Identifiers

    CAS number
    59303-19-4

    Molecular formula
    C8H10O2S

    SMILES
    CCCOC(=O)C1=CC=CS1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 57.66%
    Caramellic 43.82%
    Nutty 41.54%
    Coffee 38.27%
    Roasted 36.55%
    Burnt 33.33%
    Sweet 32.87%
    Floral 32.74%
    Woody 29.56%
    Earthy 26.54%

     

    Flavor
    Fruity 81.76%
    Sweet 54.17%
    Pineapple 35.71%
    Berry 35.07%
    Grape 35.03%
    Floral 31.88%
    Caramel 31.19%
    Strawberry 27.84%
    Balsam 27.81%
    Mushroom 26.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.37 (neutral)

    Molecular weight
    170.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 90.1 ˚C est.

  • Synonyms

    • propyl thiophene-2-carboxylate
    • thiophene-2-carboxylic acid propyl ester
    • 59303-19-4
    • 2-Thiophenecarboxylic acid, propyl ester
    • SCHEMBL127177
    • SCHEMBL130570
    • SCHEMBL9495199
    • Propyl 2-thiophenecarboxylate #
    • DTXSID00879157
    • HYLLYJWFXKKKOW-UHFFFAOYSA-N
    • AKOS008947881
    • 2-Thiophenecarboxylic acid,propyl ester
    • 59303-19-4

  • Applications

    2-Thiophenecarboxylic acid, propyl ester (CAS 59303-19-4) is primarily used as a synthetic intermediate in organic chemistry. It serves as a building block for the preparation of thiophene-containing pharmaceuticals and agrochemicals, and can act as a precursor to thiophene-based polymers and related conductive-material formulations. The ester also finds use as a fragrance/odorant intermediate for perfumery and personal care applications, where thiophene motifs contribute to distinctive notes. In coatings and inks, it may be employed as a specialty monomer or additive within thiophene-containing polymer systems. Overall, it is typically handled as an intermediate or starting material rather than a bulk additive, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 606.98
    methanol 655.79
    isopropanol 476.79
    water 1.27
    ethyl acetate 376.77
    n-propanol 439.25
    acetone 801.81
    n-butanol 513.56
    acetonitrile 460.44
    DMF 1815.8
    toluene 318.62
    isobutanol 398.63
    1,4-dioxane 626.11
    methyl acetate 463.11
    THF 859.68
    2-butanone 571.17
    n-pentanol 489.32
    sec-butanol 483.31
    n-hexane 42.31
    ethylene glycol 163.73
    NMP 1013.87
    cyclohexane 79.31
    DMSO 1025.95
    n-butyl acetate 533.34
    n-octanol 334.21
    chloroform 1698.12
    n-propyl acetate 431.78
    acetic acid 871.87
    dichloromethane 1500.67
    cyclohexanone 854.76
    propylene glycol 199.48
    isopropyl acetate 280.83
    DMAc 1089.14
    2-ethoxyethanol 578.85
    isopentanol 465.43
    n-heptane 37.39
    ethyl formate 419.08
    1,2-dichloroethane 930.62
    n-hexanol 406.99
    2-methoxyethanol 779.92
    isobutyl acetate 272.94
    tetrachloromethane 159.66
    n-pentyl acetate 353.71
    transcutol 1438.66
    n-heptanol 243.13
    ethylbenzene 237.4
    MIBK 326.46
    2-propoxyethanol 547.76
    tert-butanol 542.45
    MTBE 372.7
    2-butoxyethanol 413.71
    propionic acid 424.16
    o-xylene 216.21
    formic acid 273.83
    diethyl ether 305.4
    m-xylene 212.9
    p-xylene 321.84
    chlorobenzene 624.05
    dimethyl carbonate 217.82
    n-octane 28.13
    formamide 427.03
    cyclopentanone 809.32
    2-pentanone 464.77
    anisole 476.61
    cyclopentyl methyl ether 366.59
    gamma-butyrolactone 789.63
    1-methoxy-2-propanol 547.26
    pyridine 965.27
    3-pentanone 317.6
    furfural 1065.17
    n-dodecane 34.71
    diethylene glycol 457.02
    diisopropyl ether 109.01
    tert-amyl alcohol 495.96
    acetylacetone 503.67
    n-hexadecane 39.39
    acetophenone 546.48
    methyl propionate 346.02
    isopentyl acetate 433.03
    trichloroethylene 1958.11
    n-nonanol 275.67
    cyclohexanol 467.84
    benzyl alcohol 499.98
    2-ethylhexanol 269.58
    isooctanol 212.33
    dipropyl ether 200.0
    1,2-dichlorobenzene 568.29
    ethyl lactate 231.67
    propylene carbonate 560.22
    n-methylformamide 622.52
    2-pentanol 366.58
    n-pentane 41.81
    1-propoxy-2-propanol 400.33
    1-methoxy-2-propyl acetate 354.82
    2-(2-methoxypropoxy) propanol 390.45
    mesitylene 139.01
    ε-caprolactone 662.47
    p-cymene 137.85
    epichlorohydrin 1012.58
    1,1,1-trichloroethane 729.6
    2-aminoethanol 306.96
    morpholine-4-carbaldehyde 949.19
    sulfolane 940.64
    2,2,4-trimethylpentane 35.99
    2-methyltetrahydrofuran 599.0
    n-hexyl acetate 528.7
    isooctane 29.08
    2-(2-butoxyethoxy)ethanol 581.4
    sec-butyl acetate 262.89
    tert-butyl acetate 323.88
    decalin 59.59
    glycerin 289.73
    diglyme 950.85
    acrylic acid 489.01
    isopropyl myristate 190.13
    n-butyric acid 610.42
    acetyl acetate 280.04
    di(2-ethylhexyl) phthalate 195.63
    ethyl propionate 299.28
    nitromethane 1041.7
    1,2-diethoxyethane 443.92
    benzonitrile 690.64
    trioctyl phosphate 145.77
    1-bromopropane 475.3
    gamma-valerolactone 1023.87
    n-decanol 204.46
    triethyl phosphate 156.99
    4-methyl-2-pentanol 217.12
    propionitrile 434.97
    vinylene carbonate 635.54
    1,1,2-trichlorotrifluoroethane 810.47
    DMS 310.39
    cumene 161.11
    2-octanol 223.46
    2-hexanone 503.81
    octyl acetate 254.75
    limonene 198.09
    1,2-dimethoxyethane 924.64
    ethyl orthosilicate 149.65
    tributyl phosphate 178.37
    diacetone alcohol 411.29
    N,N-dimethylaniline 346.73
    acrylonitrile 613.37
    aniline 438.95
    1,3-propanediol 431.02
    bromobenzene 650.37
    dibromomethane 1010.48
    1,1,2,2-tetrachloroethane 1439.82
    2-methyl-cyclohexyl acetate 263.44
    tetrabutyl urea 265.19
    diisobutyl methanol 159.53
    2-phenylethanol 390.48
    styrene 355.41
    dioctyl adipate 256.69
    dimethyl sulfate 326.42
    ethyl butyrate 311.41
    methyl lactate 248.17
    butyl lactate 295.87
    diethyl carbonate 231.04
    propanediol butyl ether 512.46
    triethyl orthoformate 214.19
    p-tert-butyltoluene 127.87
    methyl 4-tert-butylbenzoate 332.2
    morpholine 783.8
    tert-butylamine 359.68
    n-dodecanol 155.66
    dimethoxymethane 543.14
    ethylene carbonate 469.04
    cyrene 365.36
    2-ethoxyethyl acetate 398.5
    2-ethylhexyl acetate 329.51
    1,2,4-trichlorobenzene 643.42
    4-methylpyridine 964.12
    dibutyl ether 320.07
    2,6-dimethyl-4-heptanol 159.53
    DEF 638.85
    dimethyl isosorbide 494.04
    tetrachloroethylene 881.38
    eugenol 428.97
    triacetin 384.57
    span 80 363.79
    1,4-butanediol 262.19
    1,1-dichloroethane 857.99
    2-methyl-1-pentanol 454.57
    methyl formate 483.91
    2-methyl-1-butanol 436.76
    n-decane 52.5
    butyronitrile 566.01
    3,7-dimethyl-1-octanol 285.01
    1-chlorooctane 220.63
    1-chlorotetradecane 95.81
    n-nonane 48.62
    undecane 41.96
    tert-butylcyclohexane 53.89
    cyclooctane 26.9
    cyclopentanol 400.27
    tetrahydropyran 585.55
    tert-amyl methyl ether 302.78
    2,5,8-trioxanonane 644.93
    1-hexene 226.0
    2-isopropoxyethanol 395.24
    2,2,2-trifluoroethanol 253.35
    methyl butyrate 501.79

    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