Ethyl 2-hydroxy-2-phenylpropanoate

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  • Identifiers

    CAS number
    2406-23-7

    Molecular formula
    C11H14O3

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

  • Odor profile

    Fragrance
    Sweet 73.63%
    Creamy 51.76%
    Vanilla 49.74%
    Caramellic 43.26%
    Floral 42.94%
    Fruity 41.04%
    Buttery 40.23%
    Honey 39.71%
    Powdery 38.14%
    Balsamic 35.13%

     

    Flavor
    Fruity 69.59%
    Sweet 49.92%
    Bitter 41.47%
    Floral 36.12%
    Grape 33.43%
    Mild 32.02%
    Fruit 29.93%
    Creamy 28.24%
    Musty 27.38%
    Wine 27.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.99 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 117.67 ˚C est.

  • Synonyms

    • ethyl 2-hydroxy-2-phenylpropanoate
    • 2-Hydroxy-2-phenyl-propionic acid ethyl ester
    • 2406-23-7
    • 32122-08-0
    • Ethyl .beta.-methyl-.beta.-phenyl-glycolate
    • DTXSID60423933
    • ethyl 2-hydroxy-2-phenylpropionate
    • SCHEMBL5807773
    • DTXCID80374771
    • AKOS011496516
    • AB06159
    • D78595
    • H57389

  • Applications

    Ethyl 2-hydroxy-2-phenylpropanoate (CAS 2406-23-7) is primarily used as an aroma ingredient in perfumery, where its almond-like notes contribute to fragrance formulations; it is also employed in cosmetics and personal care as a fragrance additive. In the flavor and aroma sector, it may be used to impart nutty almond notes in specialized formulations. The compound is commonly evaluated as a chiral building block and intermediate in organic synthesis for pharmaceutical and agrochemical research, and can serve as a starting material for mandelate-derived compounds in industrial manufacturing. Its use is subject to formulation controls and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 422.8
    methanol 736.51
    isopropanol 320.68
    water 1.37
    ethyl acetate 366.63
    n-propanol 322.15
    acetone 545.01
    n-butanol 303.86
    acetonitrile 369.76
    DMF 954.3
    toluene 151.41
    isobutanol 232.24
    1,4-dioxane 999.32
    methyl acetate 407.01
    THF 731.86
    2-butanone 362.9
    n-pentanol 240.09
    sec-butanol 308.13
    n-hexane 25.23
    ethylene glycol 129.12
    NMP 424.6
    cyclohexane 53.55
    DMSO 616.01
    n-butyl acetate 270.71
    n-octanol 178.21
    chloroform 918.15
    n-propyl acetate 272.85
    acetic acid 430.32
    dichloromethane 789.73
    cyclohexanone 469.49
    propylene glycol 107.84
    isopropyl acetate 228.49
    DMAc 572.24
    2-ethoxyethanol 427.4
    isopentanol 266.96
    n-heptane 19.0
    ethyl formate 283.92
    1,2-dichloroethane 587.0
    n-hexanol 251.75
    2-methoxyethanol 644.41
    isobutyl acetate 166.08
    tetrachloromethane 104.85
    n-pentyl acetate 193.06
    transcutol 805.01
    n-heptanol 163.21
    ethylbenzene 134.27
    MIBK 214.09
    2-propoxyethanol 393.27
    tert-butanol 553.41
    MTBE 378.28
    2-butoxyethanol 264.09
    propionic acid 251.87
    o-xylene 135.28
    formic acid 199.98
    diethyl ether 424.01
    m-xylene 126.14
    p-xylene 158.99
    chlorobenzene 257.67
    dimethyl carbonate 188.17
    n-octane 18.36
    formamide 378.33
    cyclopentanone 491.03
    2-pentanone 313.09
    anisole 290.37
    cyclopentyl methyl ether 244.68
    gamma-butyrolactone 589.5
    1-methoxy-2-propanol 383.36
    pyridine 422.58
    3-pentanone 251.01
    furfural 537.19
    n-dodecane 18.45
    diethylene glycol 351.31
    diisopropyl ether 106.51
    tert-amyl alcohol 419.8
    acetylacetone 391.81
    n-hexadecane 21.04
    acetophenone 258.87
    methyl propionate 279.04
    isopentyl acetate 229.79
    trichloroethylene 941.2
    n-nonanol 148.05
    cyclohexanol 253.76
    benzyl alcohol 227.41
    2-ethylhexanol 140.62
    isooctanol 132.41
    dipropyl ether 147.5
    1,2-dichlorobenzene 252.4
    ethyl lactate 134.97
    propylene carbonate 333.22
    n-methylformamide 399.95
    2-pentanol 213.02
    n-pentane 24.16
    1-propoxy-2-propanol 237.25
    1-methoxy-2-propyl acetate 240.59
    2-(2-methoxypropoxy) propanol 218.99
    mesitylene 95.98
    ε-caprolactone 386.39
    p-cymene 77.29
    epichlorohydrin 659.72
    1,1,1-trichloroethane 399.58
    2-aminoethanol 215.52
    morpholine-4-carbaldehyde 584.32
    sulfolane 608.1
    2,2,4-trimethylpentane 22.74
    2-methyltetrahydrofuran 407.44
    n-hexyl acetate 281.45
    isooctane 17.98
    2-(2-butoxyethoxy)ethanol 318.36
    sec-butyl acetate 176.26
    tert-butyl acetate 270.12
    decalin 35.98
    glycerin 192.87
    diglyme 605.63
    acrylic acid 234.21
    isopropyl myristate 109.55
    n-butyric acid 327.72
    acetyl acetate 261.74
    di(2-ethylhexyl) phthalate 94.88
    ethyl propionate 213.65
    nitromethane 749.32
    1,2-diethoxyethane 312.44
    benzonitrile 251.2
    trioctyl phosphate 77.66
    1-bromopropane 261.64
    gamma-valerolactone 607.75
    n-decanol 110.35
    triethyl phosphate 98.08
    4-methyl-2-pentanol 132.15
    propionitrile 307.24
    vinylene carbonate 364.79
    1,1,2-trichlorotrifluoroethane 427.2
    DMS 215.89
    cumene 96.61
    2-octanol 132.03
    2-hexanone 252.52
    octyl acetate 141.45
    limonene 102.6
    1,2-dimethoxyethane 696.35
    ethyl orthosilicate 96.07
    tributyl phosphate 85.08
    diacetone alcohol 303.46
    N,N-dimethylaniline 187.85
    acrylonitrile 376.34
    aniline 192.36
    1,3-propanediol 320.55
    bromobenzene 255.11
    dibromomethane 505.64
    1,1,2,2-tetrachloroethane 739.88
    2-methyl-cyclohexyl acetate 154.6
    tetrabutyl urea 116.58
    diisobutyl methanol 90.8
    2-phenylethanol 209.41
    styrene 168.78
    dioctyl adipate 135.29
    dimethyl sulfate 272.68
    ethyl butyrate 183.82
    methyl lactate 151.4
    butyl lactate 140.9
    diethyl carbonate 144.59
    propanediol butyl ether 218.19
    triethyl orthoformate 131.22
    p-tert-butyltoluene 78.69
    methyl 4-tert-butylbenzoate 215.14
    morpholine 778.25
    tert-butylamine 304.26
    n-dodecanol 85.09
    dimethoxymethane 539.34
    ethylene carbonate 299.28
    cyrene 213.6
    2-ethoxyethyl acetate 247.21
    2-ethylhexyl acetate 171.84
    1,2,4-trichlorobenzene 268.14
    4-methylpyridine 344.22
    dibutyl ether 163.45
    2,6-dimethyl-4-heptanol 90.8
    DEF 372.01
    dimethyl isosorbide 313.03
    tetrachloroethylene 511.07
    eugenol 218.22
    triacetin 219.54
    span 80 174.63
    1,4-butanediol 146.38
    1,1-dichloroethane 471.64
    2-methyl-1-pentanol 214.11
    methyl formate 401.09
    2-methyl-1-butanol 243.2
    n-decane 30.08
    butyronitrile 286.01
    3,7-dimethyl-1-octanol 132.58
    1-chlorooctane 116.28
    1-chlorotetradecane 49.34
    n-nonane 27.69
    undecane 23.07
    tert-butylcyclohexane 32.63
    cyclooctane 17.94
    cyclopentanol 212.6
    tetrahydropyran 581.7
    tert-amyl methyl ether 266.14
    2,5,8-trioxanonane 404.41
    1-hexene 111.36
    2-isopropoxyethanol 287.13
    2,2,2-trifluoroethanol 153.9
    methyl butyrate 297.03

    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