Ethyl 3-(2-hydroxyphenyl)propanoate

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  • Identifiers

    CAS number
    20921-04-4

    Molecular formula
    C11H14O3

    SMILES
    CCOC(=O)CCC1=CC=CC=C1O

  • Odor profile

    Fragrance
    Sweet 49.37%
    Spicy 47.91%
    Fruity 46.5%
    Phenolic 45.12%
    Vanilla 41.37%
    Floral 40.31%
    Balsamic 39.33%
    Animal 32.43%
    Aromatic 32.35%
    Smoky 26.62%

     

    Flavor
    Sweet 70.98%
    Floral 64.11%
    Fruity 61.91%
    Balsam 51.0%
    Grape 38.03%
    Powdery 36.85%
    Berry 36.74%
    Wintergreen 36.33%
    Honey 33.87%
    Flower 31.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.51 (weak base)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 141.89 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl 3-(2-hydroxyphenyl)propanoate
    • 20921-04-4
    • Ethyl melilotate
    • Benzenepropanoic acid, 2-hydroxy-, ethyl ester
    • Fema No. 4758
    • TWZ6V125HE
    • UNII-TWZ6V125HE
    • Hydrocinnamic acid, o-hydroxy-, ethyl ester
    • DTXSID30483029
    • ethyl 3-(2-hydroxyphenyl)propionate
    • 3-(2-hydroxyphenyl)Propanoic acid ethyl ester
    • Ethyl o-hydroxyhydrocinnamate
    • SCHEMBL1246063
    • DTXCID00433839
    • Ethyl-3-(2-hydroxyphenyl)propionate
    • MFCD07772959
    • AKOS006229444
    • AS-67085
    • CS-0320704
    • W18949

  • Applications

    Ethyl 3-(2-hydroxyphenyl)propanoate (CAS 20921-04-4) is primarily used as a fragrance ingredient and synthetic aroma intermediate, serving as a precursor or building block for related ester and aroma compounds. In the perfumery and cosmetics sectors, it can contribute to scent profiles and is used as a fragrance ingredient in products such as creams, lotions, and soaps. In household and cleaning products, it may be included to impart pleasant fragrance notes. In industrial manufacturing, it is employed as an intermediate in organic synthesis to prepare other aroma esters and functional materials; it may also find use in coatings and inks as a fragrance additive, subject to regulatory limits and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 202.66
    methanol 375.45
    isopropanol 131.95
    water 1.43
    ethyl acetate 276.54
    n-propanol 143.09
    acetone 532.01
    n-butanol 121.51
    acetonitrile 272.45
    DMF 1532.55
    toluene 47.04
    isobutanol 92.12
    1,4-dioxane 467.75
    methyl acetate 267.09
    THF 701.59
    2-butanone 292.95
    n-pentanol 96.79
    sec-butanol 106.23
    n-hexane 4.6
    ethylene glycol 85.37
    NMP 901.91
    cyclohexane 3.27
    DMSO 2269.34
    n-butyl acetate 163.75
    n-octanol 28.69
    chloroform 389.92
    n-propyl acetate 153.51
    acetic acid 542.84
    dichloromethane 511.1
    cyclohexanone 358.3
    propylene glycol 90.52
    isopropyl acetate 167.5
    DMAc 1011.33
    2-ethoxyethanol 318.98
    isopentanol 117.71
    n-heptane 2.51
    ethyl formate 139.49
    1,2-dichloroethane 416.88
    n-hexanol 66.23
    2-methoxyethanol 530.1
    isobutyl acetate 93.26
    tetrachloromethane 27.24
    n-pentyl acetate 71.71
    transcutol 1575.86
    n-heptanol 29.14
    ethylbenzene 33.57
    MIBK 139.59
    2-propoxyethanol 229.81
    tert-butanol 270.81
    MTBE 221.61
    2-butoxyethanol 102.84
    propionic acid 242.81
    o-xylene 46.23
    formic acid 314.96
    diethyl ether 213.97
    m-xylene 40.59
    p-xylene 45.08
    chlorobenzene 128.82
    dimethyl carbonate 214.0
    n-octane 1.28
    formamide 694.7
    cyclopentanone 620.09
    2-pentanone 228.57
    anisole 188.24
    cyclopentyl methyl ether 217.36
    gamma-butyrolactone 811.29
    1-methoxy-2-propanol 351.44
    pyridine 265.63
    3-pentanone 192.93
    furfural 589.83
    n-dodecane 1.71
    diethylene glycol 250.69
    diisopropyl ether 45.8
    tert-amyl alcohol 190.13
    acetylacetone 438.7
    n-hexadecane 2.03
    acetophenone 172.38
    methyl propionate 271.77
    isopentyl acetate 150.46
    trichloroethylene 726.7
    n-nonanol 28.83
    cyclohexanol 94.32
    benzyl alcohol 127.29
    2-ethylhexanol 43.1
    isooctanol 28.11
    dipropyl ether 68.39
    1,2-dichlorobenzene 144.87
    ethyl lactate 89.59
    propylene carbonate 301.64
    n-methylformamide 495.68
    2-pentanol 78.84
    n-pentane 2.89
    1-propoxy-2-propanol 146.22
    1-methoxy-2-propyl acetate 232.71
    2-(2-methoxypropoxy) propanol 208.16
    mesitylene 27.66
    ε-caprolactone 331.92
    p-cymene 24.16
    epichlorohydrin 769.24
    1,1,1-trichloroethane 208.92
    2-aminoethanol 155.32
    morpholine-4-carbaldehyde 803.93
    sulfolane 1125.62
    2,2,4-trimethylpentane 5.54
    2-methyltetrahydrofuran 332.64
    n-hexyl acetate 106.9
    isooctane 3.94
    2-(2-butoxyethoxy)ethanol 270.75
    sec-butyl acetate 106.92
    tert-butyl acetate 230.26
    decalin 6.78
    glycerin 202.3
    diglyme 544.73
    acrylic acid 281.57
    isopropyl myristate 47.13
    n-butyric acid 246.43
    acetyl acetate 242.37
    di(2-ethylhexyl) phthalate 58.35
    ethyl propionate 144.68
    nitromethane 1341.81
    1,2-diethoxyethane 278.17
    benzonitrile 143.56
    trioctyl phosphate 35.23
    1-bromopropane 119.05
    gamma-valerolactone 764.94
    n-decanol 21.99
    triethyl phosphate 78.91
    4-methyl-2-pentanol 51.52
    propionitrile 163.65
    vinylene carbonate 275.73
    1,1,2-trichlorotrifluoroethane 437.47
    DMS 193.87
    cumene 26.25
    2-octanol 19.51
    2-hexanone 149.75
    octyl acetate 56.68
    limonene 36.82
    1,2-dimethoxyethane 502.55
    ethyl orthosilicate 72.36
    tributyl phosphate 61.12
    diacetone alcohol 259.66
    N,N-dimethylaniline 113.42
    acrylonitrile 284.07
    aniline 133.38
    1,3-propanediol 197.96
    bromobenzene 117.83
    dibromomethane 242.02
    1,1,2,2-tetrachloroethane 498.2
    2-methyl-cyclohexyl acetate 102.22
    tetrabutyl urea 77.79
    diisobutyl methanol 33.26
    2-phenylethanol 94.67
    styrene 51.98
    dioctyl adipate 93.69
    dimethyl sulfate 484.16
    ethyl butyrate 118.97
    methyl lactate 169.12
    butyl lactate 80.43
    diethyl carbonate 100.96
    propanediol butyl ether 121.58
    triethyl orthoformate 96.42
    p-tert-butyltoluene 25.19
    methyl 4-tert-butylbenzoate 137.52
    morpholine 568.78
    tert-butylamine 120.06
    n-dodecanol 17.31
    dimethoxymethane 597.12
    ethylene carbonate 219.34
    cyrene 196.35
    2-ethoxyethyl acetate 179.2
    2-ethylhexyl acetate 110.28
    1,2,4-trichlorobenzene 196.98
    4-methylpyridine 246.54
    dibutyl ether 59.54
    2,6-dimethyl-4-heptanol 33.26
    DEF 372.27
    dimethyl isosorbide 326.0
    tetrachloroethylene 271.72
    eugenol 136.93
    triacetin 191.17
    span 80 126.41
    1,4-butanediol 79.34
    1,1-dichloroethane 254.29
    2-methyl-1-pentanol 98.63
    methyl formate 334.33
    2-methyl-1-butanol 105.95
    n-decane 2.51
    butyronitrile 130.89
    3,7-dimethyl-1-octanol 39.62
    1-chlorooctane 17.05
    1-chlorotetradecane 8.47
    n-nonane 2.06
    undecane 2.02
    tert-butylcyclohexane 6.94
    cyclooctane 1.5
    cyclopentanol 124.21
    tetrahydropyran 248.96
    tert-amyl methyl ether 154.6
    2,5,8-trioxanonane 399.49
    1-hexene 28.7
    2-isopropoxyethanol 181.16
    2,2,2-trifluoroethanol 201.22
    methyl butyrate 180.56

    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