Benzeneacetic acid, alpha-methyl-, ethyl ester

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  • Identifiers

    CAS number
    2510-99-8

    Molecular formula
    C11H14O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 91.83%
    Sweet 87.09%
    Floral 85.05%
    Honey 64.12%
    Balsamic 56.62%
    Rose 54.57%
    Tropical 50.26%
    Green 45.12%
    Powdery 43.26%
    Spicy 42.77%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point est.
    102.85 ˚C

  • Synonyms

    • Ethyl 2-phenylpropionate
    • 2510-99-8
    • Ethyl 2-phenylpropanoate
    • Ethyl hydratropate
    • 2-phenylpropionic acid ethyl ester
    • Ethyl hydrotropate
    • Hydratropic acid, ethyl ester
    • (R)-2-PHENYLPROPIONATE ETHYL
    • Benzeneacetic acid, alpha-methyl-, ethyl ester
    • 113085-12-4
    • EINECS 219-727-1
    • MFCD00795471
    • Benzeneacetic acid, .alpha.-methyl-, ethyl ester
    • NSC 254979
    • ethyl (2R)-2-phenylpropanoate
    • DTXSID30862976
    • 2-Phenyl-propionic acid ethyl ester
    • 42253-99-6
    • Ethyl 2-Phenylpropanoate; Ethyl 2-Phenylpropionate; Ethyl Hydrotropate; Ethyl alpha-Phenylpropionate; NSC 254979; alpha-Methylbenzeneacetic Acid Ethyl Ester
    • ethyl 2-phenyl-propionate
    • SCHEMBL304815
    • CHEMBL165835
    • phenyl propionic acid ethyl ester
    • phenyl-propionic acid ethyl ester
    • DTXCID30811666
    • NSC254979
    • a-Methylbenzeneacetic acid ethyl ester
    • AKOS015909987
    • NSC-254979
    • PS-3159
    • Benzeneacetic acid,a-methyl-,ethyl ester
    • SY317406
    • DB-067315
    • CS-0151890
    • NS00045951
    • F13478
    • 219-727-1

  • Applications

    Benzeneacetic acid, alpha-methyl-, ethyl ester (ethyl 2-phenylpropionate, CAS 2510-99-8) is an aromatic ester with a sweet, floral–fruity odor, used primarily as a fragrance ingredient in fine fragrances, cosmetics, personal-care products, detergents, and air-care; in the flavor industry it is employed as a flavoring agent to impart honey-like, ripe-fruit or jasmine notes to beverages, confectionery, and baked goods within regulatory limits; in organic synthesis it serves as an intermediate toward 2-phenylpropionic acid and related arylpropionic derivatives and is widely used as a model substrate/reference in catalysis studies (esterification, transesterification, lipase-mediated kinetic resolution and asymmetric reactions), in aroma analytics (headspace/GC), and in controlled-release fragrance delivery development for consumer products.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 889.05
    methanol 1270.4
    isopropanol 638.54
    water 2.31
    ethyl acetate 846.2
    n-propanol 713.22
    acetone 1133.26
    n-butanol 688.96
    acetonitrile 1373.8
    DMF 1798.21
    toluene 411.26
    isobutanol 559.27
    1,4-dioxane 1700.7
    methyl acetate 798.45
    THF 1076.76
    2-butanone 856.07
    n-pentanol 505.56
    sec-butanol 552.92
    n-hexane 99.68
    ethylene glycol 164.85
    NMP 1273.24
    cyclohexane 149.21
    DMSO 1161.55
    n-butyl acetate 658.29
    n-octanol 271.07
    chloroform 3654.66
    n-propyl acetate 560.49
    acetic acid 892.76
    dichloromethane 3551.91
    cyclohexanone 1362.28
    propylene glycol 171.54
    isopropyl acetate 443.32
    DMAc 1145.11
    2-ethoxyethanol 624.1
    isopentanol 572.52
    n-heptane 47.72
    ethyl formate 648.51
    1,2-dichloroethane 2185.27
    n-hexanol 461.54
    2-methoxyethanol 936.16
    isobutyl acetate 338.52
    tetrachloromethane 355.73
    n-pentyl acetate 354.06
    transcutol 1523.56
    n-heptanol 221.57
    ethylbenzene 298.83
    MIBK 394.13
    2-propoxyethanol 637.62
    tert-butanol 805.66
    MTBE 704.16
    2-butoxyethanol 367.91
    propionic acid 626.88
    o-xylene 268.88
    formic acid 267.02
    diethyl ether 868.78
    m-xylene 266.79
    p-xylene 361.67
    chlorobenzene 829.22
    dimethyl carbonate 341.14
    n-octane 31.67
    formamide 530.83
    cyclopentanone 1252.34
    2-pentanone 689.66
    anisole 629.63
    cyclopentyl methyl ether 548.89
    gamma-butyrolactone 1441.13
    1-methoxy-2-propanol 589.22
    pyridine 1298.03
    3-pentanone 565.21
    furfural 1220.2
    n-dodecane 30.44
    diethylene glycol 454.04
    diisopropyl ether 192.99
    tert-amyl alcohol 620.81
    acetylacetone 683.01
    n-hexadecane 35.01
    acetophenone 536.35
    methyl propionate 609.95
    isopentyl acetate 507.64
    trichloroethylene 3430.13
    n-nonanol 233.88
    cyclohexanol 551.37
    benzyl alcohol 454.33
    2-ethylhexanol 274.84
    isooctanol 193.94
    dipropyl ether 310.41
    1,2-dichlorobenzene 732.71
    ethyl lactate 239.2
    propylene carbonate 825.11
    n-methylformamide 851.15
    2-pentanol 397.53
    n-pentane 71.87
    1-propoxy-2-propanol 396.87
    1-methoxy-2-propyl acetate 439.75
    2-(2-methoxypropoxy) propanol 347.62
    mesitylene 178.33
    ε-caprolactone 975.53
    p-cymene 143.63
    epichlorohydrin 1759.74
    1,1,1-trichloroethane 1386.85
    2-aminoethanol 356.57
    morpholine-4-carbaldehyde 1155.9
    sulfolane 1362.84
    2,2,4-trimethylpentane 46.27
    2-methyltetrahydrofuran 873.95
    n-hexyl acetate 537.14
    isooctane 34.38
    2-(2-butoxyethoxy)ethanol 479.37
    sec-butyl acetate 355.67
    tert-butyl acetate 464.39
    decalin 84.46
    glycerin 249.95
    diglyme 900.73
    acrylic acid 558.68
    isopropyl myristate 194.99
    n-butyric acid 835.8
    acetyl acetate 521.12
    di(2-ethylhexyl) phthalate 168.99
    ethyl propionate 476.39
    nitromethane 1485.65
    1,2-diethoxyethane 633.98
    benzonitrile 708.96
    trioctyl phosphate 131.04
    1-bromopropane 993.45
    gamma-valerolactone 1393.36
    n-decanol 172.58
    triethyl phosphate 196.53
    4-methyl-2-pentanol 227.77
    propionitrile 986.66
    vinylene carbonate 889.75
    1,1,2-trichlorotrifluoroethane 878.94
    DMS 441.73
    cumene 200.88
    2-octanol 177.58
    2-hexanone 534.31
    octyl acetate 258.12
    limonene 201.13
    1,2-dimethoxyethane 1155.84
    ethyl orthosilicate 186.97
    tributyl phosphate 174.81
    diacetone alcohol 449.96
    N,N-dimethylaniline 374.02
    acrylonitrile 1191.59
    aniline 553.31
    1,3-propanediol 524.15
    bromobenzene 927.92
    dibromomethane 2190.77
    1,1,2,2-tetrachloroethane 2545.4
    2-methyl-cyclohexyl acetate 304.75
    tetrabutyl urea 221.47
    diisobutyl methanol 149.95
    2-phenylethanol 362.8
    styrene 435.68
    dioctyl adipate 256.33
    dimethyl sulfate 482.21
    ethyl butyrate 426.2
    methyl lactate 258.49
    butyl lactate 258.59
    diethyl carbonate 320.31
    propanediol butyl ether 322.28
    triethyl orthoformate 268.41
    p-tert-butyltoluene 135.35
    methyl 4-tert-butylbenzoate 350.98
    morpholine 1502.99
    tert-butylamine 532.51
    n-dodecanol 128.83
    dimethoxymethane 832.31
    ethylene carbonate 745.81
    cyrene 335.93
    2-ethoxyethyl acetate 458.5
    2-ethylhexyl acetate 387.99
    1,2,4-trichlorobenzene 775.79
    4-methylpyridine 1169.93
    dibutyl ether 346.41
    2,6-dimethyl-4-heptanol 149.95
    DEF 911.82
    dimethyl isosorbide 529.89
    tetrachloroethylene 1531.88
    eugenol 371.76
    triacetin 403.02
    span 80 285.05
    1,4-butanediol 231.63
    1,1-dichloroethane 1807.4
    2-methyl-1-pentanol 453.17
    methyl formate 703.91
    2-methyl-1-butanol 556.55
    n-decane 48.47
    butyronitrile 924.58
    3,7-dimethyl-1-octanol 229.88
    1-chlorooctane 221.3
    1-chlorotetradecane 88.86
    n-nonane 46.78
    undecane 37.57
    tert-butylcyclohexane 74.44
    cyclooctane 40.68
    cyclopentanol 502.96
    tetrahydropyran 1232.63
    tert-amyl methyl ether 454.13
    2,5,8-trioxanonane 596.83
    1-hexene 376.44
    2-isopropoxyethanol 426.01
    2,2,2-trifluoroethanol 303.57
    methyl butyrate 689.08

    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

Botanical

Name CAS Botanical Proportion
Vassoura (Brazil) 1 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 2.0%