2-Phenylethyl 3-hydroxypropanoate

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  • Identifiers

    CAS number
    10138-63-3

    Molecular formula
    C11H14O3

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

  • Odor profile

    Fragrance
    Floral 80.44%
    Rose 71.88%
    Sweet 70.75%
    Fruity 68.63%
    Honey 58.98%
    Balsamic 54.44%
    Spicy 36.25%
    Winey 35.02%
    Hyacinth 33.15%
    Green 28.33%

     

    Flavor
    Floral 74.42%
    Sweet 62.9%
    Rose 61.47%
    Fruity 60.8%
    Honey 59.07%
    Balsam 50.56%
    Bitter 42.4%
    Hyacinth 39.84%
    Chocolate 35.76%
    Apricot 33.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.61 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 156.49 ˚C est.

  • Synonyms

    • 2-phenylethyl 3-hydroxypropanoate
    • 10138-63-3
    • PHENYL ETHYL LACTATE
    • Hydracrylic acid, phenethyl ester
    • Phenethyl 2-hydroxypropionate
    • Hydracrylic acid, beta-phenylethyl ester
    • SCHEMBL7290583
    • DTXSID50906104
    • ASEYDOIBHUMWAV-UHFFFAOYSA-N
    • AKOS006276521

  • Applications

    2-Phenylethyl 3-hydroxypropanoate (CAS 10138-63-3) is used primarily as a fragrance component in perfumery and cosmetics, functioning as an aroma ingredient or fragrance fixative in products such as perfumes and personal care formulations. It is also evaluated as an aroma ingredient for flavor applications in food contexts within regulatory limits and may be incorporated into household and cleaning products to impart floral notes. Additionally, the compound is commonly used as an intermediate or precursor in the synthesis of more complex aroma compounds in the fragrance industry and may act as a solvent or processing aid in industrial polymer, coating, and printing formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 267.62
    methanol 440.62
    isopropanol 146.27
    water 1.83
    ethyl acetate 139.09
    n-propanol 158.4
    acetone 310.93
    n-butanol 114.33
    acetonitrile 155.94
    DMF 584.85
    toluene 17.97
    isobutanol 94.07
    1,4-dioxane 363.42
    methyl acetate 131.46
    THF 405.24
    2-butanone 134.67
    n-pentanol 91.74
    sec-butanol 89.2
    n-hexane 1.65
    ethylene glycol 160.87
    NMP 291.33
    cyclohexane 2.28
    DMSO 1518.77
    n-butyl acetate 68.44
    n-octanol 20.59
    chloroform 184.04
    n-propyl acetate 75.95
    acetic acid 343.5
    dichloromethane 191.99
    cyclohexanone 170.55
    propylene glycol 194.04
    isopropyl acetate 71.69
    DMAc 519.18
    2-ethoxyethanol 293.43
    isopentanol 95.14
    n-heptane 1.62
    ethyl formate 73.31
    1,2-dichloroethane 176.08
    n-hexanol 56.72
    2-methoxyethanol 474.08
    isobutyl acetate 54.06
    tetrachloromethane 12.64
    n-pentyl acetate 27.77
    transcutol 998.7
    n-heptanol 20.77
    ethylbenzene 13.47
    MIBK 80.05
    2-propoxyethanol 170.35
    tert-butanol 201.2
    MTBE 79.5
    2-butoxyethanol 74.44
    propionic acid 169.47
    o-xylene 20.0
    formic acid 203.12
    diethyl ether 89.63
    m-xylene 20.59
    p-xylene 18.12
    chlorobenzene 41.38
    dimethyl carbonate 75.29
    n-octane 0.75
    formamide 331.19
    cyclopentanone 255.17
    2-pentanone 110.53
    anisole 76.65
    cyclopentyl methyl ether 114.48
    gamma-butyrolactone 327.27
    1-methoxy-2-propanol 289.19
    pyridine 127.6
    3-pentanone 79.46
    furfural 235.55
    n-dodecane 1.18
    diethylene glycol 238.81
    diisopropyl ether 21.11
    tert-amyl alcohol 114.7
    acetylacetone 188.87
    n-hexadecane 1.34
    acetophenone 74.28
    methyl propionate 124.19
    isopentyl acetate 64.16
    trichloroethylene 290.07
    n-nonanol 20.12
    cyclohexanol 77.88
    benzyl alcohol 70.96
    2-ethylhexanol 31.69
    isooctanol 19.39
    dipropyl ether 39.46
    1,2-dichlorobenzene 50.69
    ethyl lactate 62.33
    propylene carbonate 129.58
    n-methylformamide 233.51
    2-pentanol 58.06
    n-pentane 1.09
    1-propoxy-2-propanol 108.45
    1-methoxy-2-propyl acetate 110.35
    2-(2-methoxypropoxy) propanol 125.81
    mesitylene 15.22
    ε-caprolactone 141.7
    p-cymene 13.42
    epichlorohydrin 348.79
    1,1,1-trichloroethane 82.58
    2-aminoethanol 239.34
    morpholine-4-carbaldehyde 341.03
    sulfolane 454.78
    2,2,4-trimethylpentane 2.53
    2-methyltetrahydrofuran 173.38
    n-hexyl acetate 48.1
    isooctane 2.11
    2-(2-butoxyethoxy)ethanol 171.66
    sec-butyl acetate 49.74
    tert-butyl acetate 95.65
    decalin 3.49
    glycerin 288.37
    diglyme 331.29
    acrylic acid 159.57
    isopropyl myristate 22.55
    n-butyric acid 160.08
    acetyl acetate 93.64
    di(2-ethylhexyl) phthalate 31.33
    ethyl propionate 70.36
    nitromethane 590.85
    1,2-diethoxyethane 129.83
    benzonitrile 63.8
    trioctyl phosphate 19.63
    1-bromopropane 44.98
    gamma-valerolactone 319.14
    n-decanol 15.82
    triethyl phosphate 41.07
    4-methyl-2-pentanol 37.64
    propionitrile 91.47
    vinylene carbonate 114.62
    1,1,2-trichlorotrifluoroethane 284.54
    DMS 76.31
    cumene 13.55
    2-octanol 11.99
    2-hexanone 78.68
    octyl acetate 27.42
    limonene 19.83
    1,2-dimethoxyethane 351.08
    ethyl orthosilicate 37.58
    tributyl phosphate 30.95
    diacetone alcohol 147.2
    N,N-dimethylaniline 54.62
    acrylonitrile 124.62
    aniline 60.48
    1,3-propanediol 248.27
    bromobenzene 35.52
    dibromomethane 89.68
    1,1,2,2-tetrachloroethane 255.03
    2-methyl-cyclohexyl acetate 54.4
    tetrabutyl urea 43.05
    diisobutyl methanol 21.71
    2-phenylethanol 54.0
    styrene 18.44
    dioctyl adipate 48.44
    dimethyl sulfate 172.28
    ethyl butyrate 59.13
    methyl lactate 106.56
    butyl lactate 43.99
    diethyl carbonate 51.24
    propanediol butyl ether 96.76
    triethyl orthoformate 51.22
    p-tert-butyltoluene 13.59
    methyl 4-tert-butylbenzoate 69.29
    morpholine 413.4
    tert-butylamine 75.29
    n-dodecanol 12.69
    dimethoxymethane 293.15
    ethylene carbonate 96.61
    cyrene 118.51
    2-ethoxyethyl acetate 65.13
    2-ethylhexyl acetate 46.25
    1,2,4-trichlorobenzene 68.04
    4-methylpyridine 90.06
    dibutyl ether 31.09
    2,6-dimethyl-4-heptanol 21.71
    DEF 156.93
    dimethyl isosorbide 177.21
    tetrachloroethylene 126.96
    eugenol 75.37
    triacetin 91.92
    span 80 82.05
    1,4-butanediol 103.54
    1,1-dichloroethane 104.52
    2-methyl-1-pentanol 71.09
    methyl formate 147.94
    2-methyl-1-butanol 80.18
    n-decane 1.64
    butyronitrile 83.45
    3,7-dimethyl-1-octanol 26.75
    1-chlorooctane 10.01
    1-chlorotetradecane 5.21
    n-nonane 1.34
    undecane 1.35
    tert-butylcyclohexane 3.78
    cyclooctane 0.94
    cyclopentanol 99.0
    tetrahydropyran 164.0
    tert-amyl methyl ether 56.86
    2,5,8-trioxanonane 245.48
    1-hexene 11.64
    2-isopropoxyethanol 150.71
    2,2,2-trifluoroethanol 110.33
    methyl butyrate 94.11

    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