Methyl 2-hydroxy-3-phenylpropanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13674-16-3

    Molecular formula
    C10H12O3

    SMILES
    COC(=O)C(CC1=CC=CC=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 66.03%
    Fruity 60.0%
    Honey 55.77%
    Caramellic 49.58%
    Floral 42.42%
    Rose 36.61%
    Balsamic 34.97%
    Spicy 34.35%
    Fatty 33.93%
    Buttery 31.99%

     

    Flavor
    Fruity 71.13%
    Sweet 70.1%
    Floral 43.57%
    Grape 33.36%
    Rose 32.82%
    Honey 32.27%
    Waxy 31.27%
    Creamy 31.2%
    Balsam 31.11%
    Mild 29.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.63 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    262°C

    Flash point

    • 130.87 ˚C est.

  • Synonyms

    • Methyl 2-hydroxy-3-phenylpropanoate
    • 13674-16-3
    • DTXSID90929534
    • RefChem:814459
    • DTXCID70829942
    • 963-190-2
    • 21632-25-7
    • Methyl L-3-phenyllactate
    • 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER
    • MFCD06654233
    • 2-Hydroxy-3-phenylpropanoic acid methyl ester
    • Lactic acid, 3-phenyl-, methyl ester
    • Methyl 2-hydroxy-3-phenylpropionate
    • methyl 2-hydroxy-3-phenyl-propanoate
    • Benzenepropanoic acid, .alpha.-hydroxy-, methyl ester
    • Methyl benzylglycolate
    • 3-phenyllactic methyl ester
    • SCHEMBL979240
    • SCHEMBL6284438
    • SCHEMBL27503595
    • 3-phenyllactic acid methyl ester
    • Methyl2-hydroxy-3-phenylpropanoate
    • .beta.-Phenyllactic acid methyl ester
    • AKOS011495895
    • CS-W018849
    • Methyl 2-hydroxy-3-phenylpropanoate #
    • DA-20904
    • DS-14107
    • SY112626
    • DB-011728
    • DB-023678
    • EN300-140949
    • F078539
    • Benzenepropanoic acid, alpha-hydroxy-, methyl ester
    • alpha-Hydroxybenzenepropanoic acid methyl ester; L-3-Phenyl-lactic acid methyl ester; (-)-3-Phenyllactic acid methyl ester
    • 13674-16-3

  • Applications

    Methyl 2-hydroxy-3-phenylpropanoate (CAS 13674-16-3) is a versatile intermediate in organic synthesis, serving as a chiral building block for pharmaceutical and agrochemical compounds and enabling the preparation of beta-hydroxy esters and amino alcohols. In enantioselective synthesis and biocatalysis, it supports processes such as enzymatic resolution to access specific stereoisomers. The compound's phenyl-bearing beta-hydroxy ester structure also makes it suitable as a fragrance/aroma intermediate, and it can be used as a starting material in cosmetic and personal care ingredient synthesis. Additionally, it provides a potential precursor for specialty polymers and materials in the plastics and materials sector, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 197.57
    methanol 498.44
    isopropanol 85.68
    water 3.76
    ethyl acetate 259.29
    n-propanol 118.1
    acetone 129.49
    n-butanol 90.87
    acetonitrile 96.58
    DMF 442.13
    toluene 29.99
    isobutanol 63.02
    1,4-dioxane 363.41
    methyl acetate 161.17
    THF 201.38
    2-butanone 90.25
    n-pentanol 58.66
    sec-butanol 67.44
    n-hexane 0.99
    ethylene glycol 163.44
    NMP 169.31
    cyclohexane 3.94
    DMSO 530.37
    n-butyl acetate 58.88
    n-octanol 24.77
    chloroform 108.76
    n-propyl acetate 79.98
    acetic acid 376.85
    dichloromethane 150.99
    cyclohexanone 117.67
    propylene glycol 95.41
    isopropyl acetate 82.1
    DMAc 313.26
    2-ethoxyethanol 282.82
    isopentanol 80.49
    n-heptane 2.07
    ethyl formate 109.3
    1,2-dichloroethane 142.08
    n-hexanol 58.36
    2-methoxyethanol 514.21
    isobutyl acetate 39.98
    tetrachloromethane 9.64
    n-pentyl acetate 27.61
    transcutol 752.38
    n-heptanol 29.04
    ethylbenzene 19.3
    MIBK 63.66
    2-propoxyethanol 148.74
    tert-butanol 187.38
    MTBE 75.07
    2-butoxyethanol 87.73
    propionic acid 152.38
    o-xylene 28.99
    formic acid 456.93
    diethyl ether 96.32
    m-xylene 25.73
    p-xylene 21.52
    chlorobenzene 44.45
    dimethyl carbonate 82.05
    n-octane 1.21
    formamide 777.27
    cyclopentanone 134.44
    2-pentanone 92.43
    anisole 79.21
    cyclopentyl methyl ether 74.41
    gamma-butyrolactone 233.28
    1-methoxy-2-propanol 243.79
    pyridine 140.61
    3-pentanone 64.86
    furfural 240.62
    n-dodecane 1.29
    diethylene glycol 219.32
    diisopropyl ether 17.3
    tert-amyl alcohol 125.61
    acetylacetone 154.84
    n-hexadecane 1.46
    acetophenone 78.48
    methyl propionate 152.99
    isopentyl acetate 55.41
    trichloroethylene 253.21
    n-nonanol 23.02
    cyclohexanol 65.15
    benzyl alcohol 79.16
    2-ethylhexanol 31.83
    isooctanol 24.23
    dipropyl ether 29.62
    1,2-dichlorobenzene 51.32
    ethyl lactate 56.82
    propylene carbonate 115.79
    n-methylformamide 284.8
    2-pentanol 54.42
    n-pentane 1.42
    1-propoxy-2-propanol 80.56
    1-methoxy-2-propyl acetate 91.23
    2-(2-methoxypropoxy) propanol 100.44
    mesitylene 17.54
    ε-caprolactone 120.35
    p-cymene 15.04
    epichlorohydrin 281.49
    1,1,1-trichloroethane 48.86
    2-aminoethanol 216.46
    morpholine-4-carbaldehyde 279.63
    sulfolane 249.0
    2,2,4-trimethylpentane 2.32
    2-methyltetrahydrofuran 108.73
    n-hexyl acetate 44.44
    isooctane 1.75
    2-(2-butoxyethoxy)ethanol 153.37
    sec-butyl acetate 47.67
    tert-butyl acetate 88.47
    decalin 3.18
    glycerin 215.33
    diglyme 319.19
    acrylic acid 165.55
    isopropyl myristate 19.52
    n-butyric acid 170.63
    acetyl acetate 115.23
    di(2-ethylhexyl) phthalate 26.65
    ethyl propionate 74.61
    nitromethane 637.72
    1,2-diethoxyethane 114.5
    benzonitrile 58.35
    trioctyl phosphate 17.9
    1-bromopropane 30.89
    gamma-valerolactone 230.64
    n-decanol 17.65
    triethyl phosphate 33.28
    4-methyl-2-pentanol 34.38
    propionitrile 68.2
    vinylene carbonate 117.11
    1,1,2-trichlorotrifluoroethane 241.61
    DMS 60.92
    cumene 15.28
    2-octanol 15.64
    2-hexanone 51.95
    octyl acetate 24.83
    limonene 21.22
    1,2-dimethoxyethane 311.94
    ethyl orthosilicate 31.96
    tributyl phosphate 22.34
    diacetone alcohol 145.96
    N,N-dimethylaniline 52.95
    acrylonitrile 119.89
    aniline 72.75
    1,3-propanediol 255.18
    bromobenzene 34.97
    dibromomethane 67.6
    1,1,2,2-tetrachloroethane 182.49
    2-methyl-cyclohexyl acetate 44.72
    tetrabutyl urea 33.21
    diisobutyl methanol 22.03
    2-phenylethanol 61.82
    styrene 25.44
    dioctyl adipate 37.98
    dimethyl sulfate 128.14
    ethyl butyrate 54.83
    methyl lactate 94.38
    butyl lactate 38.33
    diethyl carbonate 45.36
    propanediol butyl ether 86.44
    triethyl orthoformate 42.82
    p-tert-butyltoluene 14.91
    methyl 4-tert-butylbenzoate 62.93
    morpholine 339.31
    tert-butylamine 71.6
    n-dodecanol 13.98
    dimethoxymethane 287.9
    ethylene carbonate 93.68
    cyrene 100.13
    2-ethoxyethyl acetate 70.91
    2-ethylhexyl acetate 36.99
    1,2,4-trichlorobenzene 62.28
    4-methylpyridine 89.04
    dibutyl ether 25.55
    2,6-dimethyl-4-heptanol 22.03
    DEF 154.76
    dimethyl isosorbide 145.32
    tetrachloroethylene 129.17
    eugenol 71.71
    triacetin 74.51
    span 80 68.08
    1,4-butanediol 93.3
    1,1-dichloroethane 57.8
    2-methyl-1-pentanol 56.94
    methyl formate 213.31
    2-methyl-1-butanol 67.69
    n-decane 1.88
    butyronitrile 54.17
    3,7-dimethyl-1-octanol 28.07
    1-chlorooctane 11.52
    1-chlorotetradecane 4.95
    n-nonane 1.59
    undecane 1.51
    tert-butylcyclohexane 2.88
    cyclooctane 1.77
    cyclopentanol 57.78
    tetrahydropyran 135.75
    tert-amyl methyl ether 61.48
    2,5,8-trioxanonane 211.32
    1-hexene 6.67
    2-isopropoxyethanol 139.72
    2,2,2-trifluoroethanol 142.41
    methyl butyrate 96.97

    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