Ethyl 2-thenoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2810-04-0

    Molecular formula
    C7H8O2S

    SMILES
    CCOC(=O)C1=CC=CS1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 67.08%
    Floral 42.13%
    Coffee 39.72%
    Caramellic 37.62%
    Burnt 37.27%
    Nutty 37.12%
    Roasted 34.54%
    Sulfurous 33.97%
    Sweet 29.39%
    Berry 29.2%

     

    Flavor
    Fruity 86.59%
    Sweet 56.14%
    Grape 40.84%
    Floral 37.45%
    Pineapple 36.85%
    Berry 36.31%
    Strawberry 30.78%
    Balsam 28.0%
    Fruit 27.86%
    Nutty 27.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.42 (neutral)

    Molecular weight
    156.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point

    • 86.73 ˚C est.

  • Synonyms

    • Ethyl 2-thiophenecarboxylate
    • Ethyl thiophene-2-carboxylate
    • 2810-04-0
    • Ethyl 2-thenoate
    • ethyl thiophen-2-carboxylate
    • JE4R4NBV2R
    • EINECS 220-554-9
    • NSC-39455
    • 2-Thiophenecarboxylic acid, ethyl ester
    • DTXSID10182381
    • NSC 39455
    • RefChem:594523
    • DTXCID20104872
    • 220-554-9
    • MFCD00005436
    • 2-Thiophenecarboxylic Acid Ethyl Ester
    • Thiophene-2-carboxylic acid ethyl ester
    • CHEMBL595062
    • Ethyl2-thiophenecarboxylate
    • Thiophenecarboxylic acid, ethyl ester
    • Ethyl-thiophene-2-carboxylate
    • UNII-JE4R4NBV2R
    • ethyl 2-thiophene carboxylate
    • ethyl-2-thiophene carboxylate
    • BIDD:GT0076
    • SCHEMBL127564
    • SCHEMBL128933
    • SCHEMBL422787
    • SCHEMBL6199378
    • SCHEMBL7757824
    • SCHEMBL7757826
    • Ethyl 2-thiophenecarboxylate, 95%
    • NSC39455
    • BDBM50304452
    • SBB058448
    • AKOS008947879
    • CS-W016234
    • AC-18071
    • AS-59780
    • SY001461
    • DB-000574
    • NS00028422
    • ST50308270
    • T0904
    • EN300-16138
    • F209197
    • InChI=1/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H
    • 2810-04-0

  • Applications

    Ethyl 2-thenoate is used primarily as an intermediate in organic synthesis and as a solvent or co-solvent in a range of formulations. In perfumery and flavor applications it can serve as an odorant or fragrance ingredient. It may act as a precursor for fragrance materials or as a processing aid in certain polymer systems. In cosmetics and personal care it can appear as a fragrance component or solvent. In coatings, inks, and adhesives it can function as a reactive intermediate or processing solvent. In industrial manufacturing it may be used to prepare other specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 275.55
    methanol 298.31
    isopropanol 217.0
    water 4.18
    ethyl acetate 305.16
    n-propanol 217.27
    acetone 565.73
    n-butanol 209.08
    acetonitrile 469.27
    DMF 1402.72
    toluene 239.96
    isobutanol 177.76
    1,4-dioxane 438.66
    methyl acetate 430.49
    THF 510.51
    2-butanone 427.23
    n-pentanol 220.06
    sec-butanol 232.55
    n-hexane 33.28
    ethylene glycol 136.53
    NMP 935.66
    cyclohexane 62.75
    DMSO 969.04
    n-butyl acetate 315.1
    n-octanol 257.15
    chloroform 1590.87
    n-propyl acetate 322.03
    acetic acid 461.86
    dichloromethane 1642.19
    cyclohexanone 632.25
    propylene glycol 128.13
    isopropyl acetate 192.97
    DMAc 925.87
    2-ethoxyethanol 337.84
    isopentanol 185.7
    n-heptane 42.02
    ethyl formate 360.17
    1,2-dichloroethane 803.62
    n-hexanol 216.85
    2-methoxyethanol 458.47
    isobutyl acetate 177.34
    tetrachloromethane 189.62
    n-pentyl acetate 271.48
    transcutol 688.72
    n-heptanol 170.44
    ethylbenzene 205.49
    MIBK 196.88
    2-propoxyethanol 342.52
    tert-butanol 248.3
    MTBE 190.62
    2-butoxyethanol 274.28
    propionic acid 329.86
    o-xylene 203.9
    formic acid 139.59
    diethyl ether 178.94
    m-xylene 193.61
    p-xylene 292.81
    chlorobenzene 531.2
    dimethyl carbonate 238.95
    n-octane 34.3
    formamide 308.81
    cyclopentanone 686.24
    2-pentanone 307.87
    anisole 400.9
    cyclopentyl methyl ether 242.4
    gamma-butyrolactone 748.19
    1-methoxy-2-propanol 345.54
    pyridine 732.1
    3-pentanone 272.38
    furfural 1008.62
    n-dodecane 41.39
    diethylene glycol 314.48
    diisopropyl ether 76.56
    tert-amyl alcohol 238.79
    acetylacetone 406.48
    n-hexadecane 46.86
    acetophenone 463.04
    methyl propionate 326.55
    isopentyl acetate 244.94
    trichloroethylene 1664.75
    n-nonanol 214.14
    cyclohexanol 248.16
    benzyl alcohol 350.31
    2-ethylhexanol 174.38
    isooctanol 146.94
    dipropyl ether 167.06
    1,2-dichlorobenzene 553.15
    ethyl lactate 219.06
    propylene carbonate 498.71
    n-methylformamide 527.85
    2-pentanol 157.0
    n-pentane 33.77
    1-propoxy-2-propanol 266.32
    1-methoxy-2-propyl acetate 256.7
    2-(2-methoxypropoxy) propanol 289.28
    mesitylene 140.4
    ε-caprolactone 495.68
    p-cymene 148.0
    epichlorohydrin 771.76
    1,1,1-trichloroethane 670.04
    2-aminoethanol 181.87
    morpholine-4-carbaldehyde 786.68
    sulfolane 1034.1
    2,2,4-trimethylpentane 27.13
    2-methyltetrahydrofuran 357.68
    n-hexyl acetate 422.08
    isooctane 22.09
    2-(2-butoxyethoxy)ethanol 390.72
    sec-butyl acetate 181.9
    tert-butyl acetate 215.1
    decalin 53.7
    glycerin 206.49
    diglyme 719.21
    acrylic acid 401.61
    isopropyl myristate 181.74
    n-butyric acid 341.33
    acetyl acetate 242.67
    di(2-ethylhexyl) phthalate 173.36
    ethyl propionate 270.02
    nitromethane 908.64
    1,2-diethoxyethane 282.29
    benzonitrile 600.61
    trioctyl phosphate 140.6
    1-bromopropane 350.81
    gamma-valerolactone 739.31
    n-decanol 166.96
    triethyl phosphate 146.94
    4-methyl-2-pentanol 103.1
    propionitrile 359.27
    vinylene carbonate 609.13
    1,1,2-trichlorotrifluoroethane 653.67
    DMS 312.12
    cumene 148.86
    2-octanol 167.38
    2-hexanone 314.26
    octyl acetate 235.3
    limonene 185.98
    1,2-dimethoxyethane 626.41
    ethyl orthosilicate 133.82
    tributyl phosphate 161.13
    diacetone alcohol 269.48
    N,N-dimethylaniline 313.47
    acrylonitrile 603.24
    aniline 301.34
    1,3-propanediol 225.25
    bromobenzene 593.84
    dibromomethane 978.34
    1,1,2,2-tetrachloroethane 1150.74
    2-methyl-cyclohexyl acetate 226.77
    tetrabutyl urea 251.46
    diisobutyl methanol 110.74
    2-phenylethanol 289.79
    styrene 292.44
    dioctyl adipate 248.65
    dimethyl sulfate 415.77
    ethyl butyrate 265.21
    methyl lactate 237.2
    butyl lactate 235.17
    diethyl carbonate 215.17
    propanediol butyl ether 329.57
    triethyl orthoformate 181.8
    p-tert-butyltoluene 132.49
    methyl 4-tert-butylbenzoate 336.51
    morpholine 445.56
    tert-butylamine 171.65
    n-dodecanol 138.64
    dimethoxymethane 421.0
    ethylene carbonate 428.63
    cyrene 337.28
    2-ethoxyethyl acetate 298.48
    2-ethylhexyl acetate 206.37
    1,2,4-trichlorobenzene 611.53
    4-methylpyridine 663.31
    dibutyl ether 245.53
    2,6-dimethyl-4-heptanol 110.74
    DEF 483.33
    dimethyl isosorbide 415.43
    tetrachloroethylene 748.84
    eugenol 384.84
    triacetin 377.44
    span 80 286.99
    1,4-butanediol 158.64
    1,1-dichloroethane 711.56
    2-methyl-1-pentanol 196.93
    methyl formate 475.16
    2-methyl-1-butanol 184.11
    n-decane 60.45
    butyronitrile 367.81
    3,7-dimethyl-1-octanol 204.54
    1-chlorooctane 215.47
    1-chlorotetradecane 99.44
    n-nonane 59.61
    undecane 49.16
    tert-butylcyclohexane 46.39
    cyclooctane 26.48
    cyclopentanol 265.23
    tetrahydropyran 321.19
    tert-amyl methyl ether 169.0
    2,5,8-trioxanonane 501.14
    1-hexene 132.21
    2-isopropoxyethanol 254.25
    2,2,2-trifluoroethanol 207.37
    methyl butyrate 399.02

    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