2-Furancarboxylic acid, 5-methyl-, ethyl ester

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  • Identifiers

    CAS number
    14003-12-4

    Molecular formula
    C8H10O3

    SMILES
    CCOC(=O)C1=CC=C(O1)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 82.55%
    Sweet 58.32%
    Caramellic 53.59%
    Floral 53.06%
    Burnt 35.52%
    Berry 35.38%
    Winey 33.44%
    Nutty 32.55%
    Herbal 29.85%
    Strawberry 29.03%

     

    Flavor
    Fruity 81.57%
    Sweet 66.23%
    Grape 42.27%
    Caramel 37.28%
    Berry 32.86%
    Floral 29.43%
    Balsam 28.44%
    Powdery 27.78%
    Strawberry 27.64%
    Tobacco 27.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.62 (neutral)

    Molecular weight
    154.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 82.81 ˚C est.

  • Synonyms

    • 14003-12-4
    • 2-Furancarboxylic acid, 5-methyl-, ethyl ester
    • RefChem:1063217
    • Ethyl 5-methylfuran-2-carboxylate
    • MFCD06204282
    • 5-methyl-furan-2-carboxylic acid ethyl ester
    • ethyl 5-methyl-2-furoate
    • SCHEMBL669793
    • SCHEMBL1522372
    • Ethyl5-methylfuran-2-carboxylate
    • DTXSID70407941
    • ethyl 5-methyl-2-furancarboxylate
    • PAA00312
    • AKOS008949227
    • WS-00627
    • 5-Methyl-2-furancarboxylic acid ethyl ester
    • CS-0215605
    • EN300-264574
    • F16826
    • 14003-12-4

  • Applications

    2-Furancarboxylic acid, 5-methyl-, ethyl ester (CAS 14003-12-4) is primarily used as an intermediate in fragrance and flavor chemistry, serving as a precursor to furan-based aroma compounds. It is also employed as a building block in cosmetics and personal care formulations through fragrance components. Additionally, it is used as an intermediate in the synthesis of pharmaceutical and agrochemical compounds. In industrial manufacturing, it can serve as a starting material for the preparation of functionalized furan derivatives and for the development of furan-based polymers and plastics. Its use is typically as an intermediate and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 314.1
    methanol 518.4
    isopropanol 229.36
    water 4.2
    ethyl acetate 125.76
    n-propanol 245.22
    acetone 259.49
    n-butanol 247.88
    acetonitrile 185.46
    DMF 770.7
    toluene 151.45
    isobutanol 183.28
    1,4-dioxane 393.76
    methyl acetate 176.61
    THF 373.47
    2-butanone 172.38
    n-pentanol 197.56
    sec-butanol 207.64
    n-hexane 20.49
    ethylene glycol 138.6
    NMP 401.03
    cyclohexane 51.37
    DMSO 452.48
    n-butyl acetate 103.98
    n-octanol 108.55
    chloroform 574.2
    n-propyl acetate 92.01
    acetic acid 304.14
    dichloromethane 524.66
    cyclohexanone 270.43
    propylene glycol 111.83
    isopropyl acetate 81.23
    DMAc 551.91
    2-ethoxyethanol 277.49
    isopentanol 191.77
    n-heptane 14.07
    ethyl formate 181.3
    1,2-dichloroethane 314.03
    n-hexanol 146.17
    2-methoxyethanol 493.32
    isobutyl acetate 64.58
    tetrachloromethane 81.87
    n-pentyl acetate 81.2
    transcutol 402.35
    n-heptanol 80.83
    ethylbenzene 104.57
    MIBK 93.31
    2-propoxyethanol 230.57
    tert-butanol 277.24
    MTBE 162.04
    2-butoxyethanol 134.41
    propionic acid 161.68
    o-xylene 120.54
    formic acid 173.55
    diethyl ether 139.68
    m-xylene 97.81
    p-xylene 142.63
    chlorobenzene 197.29
    dimethyl carbonate 101.44
    n-octane 12.42
    formamide 241.43
    cyclopentanone 255.23
    2-pentanone 128.99
    anisole 184.3
    cyclopentyl methyl ether 137.83
    gamma-butyrolactone 280.88
    1-methoxy-2-propanol 281.86
    pyridine 372.44
    3-pentanone 107.27
    furfural 410.36
    n-dodecane 15.89
    diethylene glycol 257.08
    diisopropyl ether 41.26
    tert-amyl alcohol 223.89
    acetylacetone 165.24
    n-hexadecane 17.73
    acetophenone 162.73
    methyl propionate 135.52
    isopentyl acetate 100.47
    trichloroethylene 561.3
    n-nonanol 97.37
    cyclohexanol 211.75
    benzyl alcohol 205.06
    2-ethylhexanol 88.85
    isooctanol 66.47
    dipropyl ether 64.19
    1,2-dichlorobenzene 184.63
    ethyl lactate 87.05
    propylene carbonate 182.64
    n-methylformamide 311.77
    2-pentanol 135.32
    n-pentane 21.51
    1-propoxy-2-propanol 137.78
    1-methoxy-2-propyl acetate 104.61
    2-(2-methoxypropoxy) propanol 162.76
    mesitylene 65.25
    ε-caprolactone 211.43
    p-cymene 55.64
    epichlorohydrin 356.54
    1,1,1-trichloroethane 251.27
    2-aminoethanol 190.3
    morpholine-4-carbaldehyde 431.68
    sulfolane 370.22
    2,2,4-trimethylpentane 18.82
    2-methyltetrahydrofuran 213.73
    n-hexyl acetate 133.76
    isooctane 11.5
    2-(2-butoxyethoxy)ethanol 199.1
    sec-butyl acetate 65.88
    tert-butyl acetate 101.35
    decalin 31.28
    glycerin 185.36
    diglyme 337.59
    acrylic acid 176.65
    isopropyl myristate 64.84
    n-butyric acid 198.24
    acetyl acetate 101.01
    di(2-ethylhexyl) phthalate 76.45
    ethyl propionate 94.07
    nitromethane 361.95
    1,2-diethoxyethane 131.94
    benzonitrile 212.4
    trioctyl phosphate 54.71
    1-bromopropane 163.76
    gamma-valerolactone 366.32
    n-decanol 76.59
    triethyl phosphate 68.08
    4-methyl-2-pentanol 80.4
    propionitrile 164.15
    vinylene carbonate 220.44
    1,1,2-trichlorotrifluoroethane 304.28
    DMS 113.7
    cumene 72.57
    2-octanol 68.58
    2-hexanone 107.23
    octyl acetate 83.35
    limonene 75.78
    1,2-dimethoxyethane 452.53
    ethyl orthosilicate 64.78
    tributyl phosphate 64.23
    diacetone alcohol 142.41
    N,N-dimethylaniline 150.54
    acrylonitrile 231.91
    aniline 204.46
    1,3-propanediol 254.68
    bromobenzene 208.85
    dibromomethane 334.53
    1,1,2,2-tetrachloroethane 434.96
    2-methyl-cyclohexyl acetate 88.32
    tetrabutyl urea 90.93
    diisobutyl methanol 57.65
    2-phenylethanol 141.62
    styrene 134.0
    dioctyl adipate 88.66
    dimethyl sulfate 167.72
    ethyl butyrate 87.15
    methyl lactate 117.76
    butyl lactate 80.14
    diethyl carbonate 80.52
    propanediol butyl ether 146.35
    triethyl orthoformate 75.43
    p-tert-butyltoluene 54.95
    methyl 4-tert-butylbenzoate 132.58
    morpholine 394.8
    tert-butylamine 177.06
    n-dodecanol 61.62
    dimethoxymethane 308.67
    ethylene carbonate 166.28
    cyrene 148.6
    2-ethoxyethyl acetate 105.12
    2-ethylhexyl acetate 81.62
    1,2,4-trichlorobenzene 213.49
    4-methylpyridine 334.05
    dibutyl ether 91.2
    2,6-dimethyl-4-heptanol 57.65
    DEF 220.21
    dimethyl isosorbide 194.62
    tetrachloroethylene 314.07
    eugenol 153.38
    triacetin 125.25
    span 80 129.41
    1,4-butanediol 133.59
    1,1-dichloroethane 268.72
    2-methyl-1-pentanol 162.9
    methyl formate 261.87
    2-methyl-1-butanol 183.78
    n-decane 21.74
    butyronitrile 194.79
    3,7-dimethyl-1-octanol 97.54
    1-chlorooctane 71.79
    1-chlorotetradecane 37.58
    n-nonane 20.03
    undecane 18.02
    tert-butylcyclohexane 26.34
    cyclooctane 16.4
    cyclopentanol 196.05
    tetrahydropyran 262.12
    tert-amyl methyl ether 132.77
    2,5,8-trioxanonane 269.77
    1-hexene 77.64
    2-isopropoxyethanol 169.82
    2,2,2-trifluoroethanol 108.38
    methyl butyrate 141.28

    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