Ethyl 2-phenyl-3-furoate

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  • Identifiers

    CAS number
    50626-02-3

    Molecular formula
    C13H12O3

    SMILES
    CCOC(=O)C1=C(OC=C1)C2=CC=CC=C2

  • Odor profile

    Fragrance
    Fruity 91.25%
    Sweet 72.83%
    Floral 71.65%
    Berry 55.54%
    Cherry 49.63%
    Balsamic 45.01%
    Tropical 40.46%
    Strawberry 39.02%
    Grape 38.82%
    Powdery 34.85%

     

    Flavor
    Bitter 58.61%
    Balsam 57.8%
    Sweet 57.73%
    Herbal 48.34%
    Floral 45.04%
    Fruity 37.62%
    Wintergreen 37.49%
    Balsamic 34.32%
    Strawberry 32.5%
    Powdery 32.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    5.68 (weak acid)

    Molecular weight
    216.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 331.00 to 332.00 °C. @ 760.00 mm Hg

    Flash point

    • 147.05 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in oils

  • Synonyms

    • 2-Phenyl-3-carbethoxyfuran
    • 50626-02-3
    • Ethyl 2-phenyl-3-furoate
    • ethyl 2-phenylfuran-3-carboxylate
    • Ethyl 2-phenyl-3-furancarboxylate
    • FEMA No. 3468
    • 3-Furancarboxylic acid, 2-phenyl-, ethyl ester
    • 2JCY5NG0OR
    • EINECS 256-663-3
    • PHENYL OXAROMATE 681
    • DTXSID6068563
    • 2-PHENYL-3-CARBETHOXYFURAN [FHFI]
    • UNII-2JCY5NG0OR
    • SCHEMBL3504414
    • DTXCID6040876
    • FEMA 3468
    • ethyl 2-phenyluran-3-carboxylate
    • CHEBI:174095
    • VMAQXZDICAYJMS-UHFFFAOYSA-N
    • DB-365244
    • NS00057662
    • Q27254821
    • 256-663-3

  • Applications

    Ethyl 2-phenyl-3-furoate (CAS 50626-02-3) is primarily used as an odorant in the fragrance industry, contributing fruity and floral notes to perfumes, personal care formulations, and cosmetic products. It is also employed in household products such as air fresheners and cleaners to impart scent; it may be used as a flavor/aroma ingredient in food and beverage formulations within regulatory limits; and it serves as an industrial chemical intermediate for the synthesis of related fragrance compounds in manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 287.49
    methanol 335.79
    isopropanol 151.58
    water 0.07
    ethyl acetate 342.87
    n-propanol 198.74
    acetone 838.6
    n-butanol 193.53
    acetonitrile 383.9
    DMF 1977.7
    toluene 350.94
    isobutanol 144.39
    1,4-dioxane 566.11
    methyl acetate 418.45
    THF 991.29
    2-butanone 508.96
    n-pentanol 125.46
    sec-butanol 137.28
    n-hexane 5.19
    ethylene glycol 76.42
    NMP 1249.94
    cyclohexane 22.43
    DMSO 1185.45
    n-butyl acetate 192.43
    n-octanol 57.24
    chloroform 1360.72
    n-propyl acetate 195.96
    acetic acid 329.39
    dichloromethane 1750.98
    cyclohexanone 771.37
    propylene glycol 92.6
    isopropyl acetate 181.64
    DMAc 1124.96
    2-ethoxyethanol 226.16
    isopentanol 167.19
    n-heptane 4.6
    ethyl formate 263.16
    1,2-dichloroethane 1243.29
    n-hexanol 105.51
    2-methoxyethanol 584.85
    isobutyl acetate 128.38
    tetrachloromethane 62.87
    n-pentyl acetate 117.74
    transcutol 558.03
    n-heptanol 55.81
    ethylbenzene 115.06
    MIBK 201.78
    2-propoxyethanol 234.71
    tert-butanol 171.95
    MTBE 166.24
    2-butoxyethanol 125.39
    propionic acid 226.62
    o-xylene 127.85
    formic acid 93.13
    diethyl ether 213.8
    m-xylene 144.32
    p-xylene 131.4
    chlorobenzene 498.76
    dimethyl carbonate 286.07
    n-octane 3.14
    formamide 265.39
    cyclopentanone 1098.06
    2-pentanone 389.04
    anisole 275.28
    cyclopentyl methyl ether 361.46
    gamma-butyrolactone 1001.93
    1-methoxy-2-propanol 337.16
    pyridine 989.84
    3-pentanone 288.12
    furfural 839.88
    n-dodecane 5.28
    diethylene glycol 222.37
    diisopropyl ether 48.85
    tert-amyl alcohol 143.46
    acetylacetone 506.65
    n-hexadecane 6.43
    acetophenone 277.25
    methyl propionate 395.41
    isopentyl acetate 165.19
    trichloroethylene 2253.03
    n-nonanol 52.54
    cyclohexanol 233.26
    benzyl alcohol 252.27
    2-ethylhexanol 70.5
    isooctanol 48.31
    dipropyl ether 73.32
    1,2-dichlorobenzene 368.47
    ethyl lactate 99.69
    propylene carbonate 460.77
    n-methylformamide 576.88
    2-pentanol 99.84
    n-pentane 4.75
    1-propoxy-2-propanol 131.08
    1-methoxy-2-propyl acetate 197.39
    2-(2-methoxypropoxy) propanol 148.25
    mesitylene 68.52
    ε-caprolactone 496.96
    p-cymene 49.91
    epichlorohydrin 1363.57
    1,1,1-trichloroethane 553.31
    2-aminoethanol 139.94
    morpholine-4-carbaldehyde 727.93
    sulfolane 1039.06
    2,2,4-trimethylpentane 7.84
    2-methyltetrahydrofuran 523.62
    n-hexyl acetate 171.11
    isooctane 5.55
    2-(2-butoxyethoxy)ethanol 187.03
    sec-butyl acetate 121.13
    tert-butyl acetate 183.26
    decalin 16.83
    glycerin 152.36
    diglyme 398.09
    acrylic acid 269.41
    isopropyl myristate 64.18
    n-butyric acid 301.08
    acetyl acetate 229.64
    di(2-ethylhexyl) phthalate 76.87
    ethyl propionate 170.94
    nitromethane 766.56
    1,2-diethoxyethane 167.32
    benzonitrile 334.8
    trioctyl phosphate 48.79
    1-bromopropane 367.24
    gamma-valerolactone 963.01
    n-decanol 40.35
    triethyl phosphate 74.76
    4-methyl-2-pentanol 59.65
    propionitrile 286.84
    vinylene carbonate 454.2
    1,1,2-trichlorotrifluoroethane 628.94
    DMS 213.01
    cumene 62.79
    2-octanol 39.04
    2-hexanone 202.85
    octyl acetate 85.18
    limonene 71.69
    1,2-dimethoxyethane 447.32
    ethyl orthosilicate 65.25
    tributyl phosphate 62.67
    diacetone alcohol 226.04
    N,N-dimethylaniline 147.97
    acrylonitrile 484.18
    aniline 390.48
    1,3-propanediol 229.07
    bromobenzene 544.25
    dibromomethane 929.29
    1,1,2,2-tetrachloroethane 1338.0
    2-methyl-cyclohexyl acetate 116.27
    tetrabutyl urea 93.94
    diisobutyl methanol 43.52
    2-phenylethanol 170.88
    styrene 189.97
    dioctyl adipate 103.4
    dimethyl sulfate 411.38
    ethyl butyrate 135.18
    methyl lactate 186.98
    butyl lactate 92.8
    diethyl carbonate 110.68
    propanediol butyl ether 114.77
    triethyl orthoformate 88.64
    p-tert-butyltoluene 46.77
    methyl 4-tert-butylbenzoate 155.43
    morpholine 697.81
    tert-butylamine 88.89
    n-dodecanol 32.48
    dimethoxymethane 709.49
    ethylene carbonate 343.81
    cyrene 192.97
    2-ethoxyethyl acetate 176.57
    2-ethylhexyl acetate 126.43
    1,2,4-trichlorobenzene 437.39
    4-methylpyridine 833.72
    dibutyl ether 76.94
    2,6-dimethyl-4-heptanol 43.52
    DEF 528.85
    dimethyl isosorbide 238.5
    tetrachloroethylene 690.04
    eugenol 158.16
    triacetin 166.77
    span 80 110.66
    1,4-butanediol 74.87
    1,1-dichloroethane 793.09
    2-methyl-1-pentanol 131.57
    methyl formate 462.05
    2-methyl-1-butanol 162.06
    n-decane 6.98
    butyronitrile 293.14
    3,7-dimethyl-1-octanol 61.56
    1-chlorooctane 50.79
    1-chlorotetradecane 23.97
    n-nonane 5.59
    undecane 5.96
    tert-butylcyclohexane 13.63
    cyclooctane 5.18
    cyclopentanol 260.83
    tetrahydropyran 526.89
    tert-amyl methyl ether 127.92
    2,5,8-trioxanonane 266.05
    1-hexene 46.09
    2-isopropoxyethanol 147.88
    2,2,2-trifluoroethanol 113.49
    methyl butyrate 259.43

    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