DL-3-Phenyllactic acid

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  • Identifiers

    CAS number
    828-01-3

    Molecular formula
    C9H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 70.94%
    Honey 60.61%
    Balsamic 41.46%
    Floral 37.81%
    Caramellic 36.08%
    Rose 36.02%
    Spicy 35.64%
    Fatty 34.69%
    Almond 33.21%
    Fruity 32.35%

     

    Flavor
    Sweet 65.33%
    Odorless 43.63%
    Fruity 37.07%
    Mild 33.52%
    Sour 32.25%
    Honey 30.21%
    Balsam 28.72%
    Balsamic 26.02%
    Waxy 24.83%
    Creamy 24.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    5.86 (weak acid)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Melting point expt.

    • 98 °C

    Flash point

    • 170.3 ˚C est.

  • Synonyms

    • DL-3-Phenyllactic acid
    • 828-01-3
    • 2-Hydroxy-3-phenylpropanoic acid
    • 3-Phenyllactic acid
    • DL-beta-Phenyllactic acid
    • 2-Hydroxy-3-phenylpropionic acid
    • 2-hydroxy-3-phenyl-propionic acid
    • DL-b-Phenyllactic acid
    • 156-05-8
    • DL-Phenyllactic acid
    • beta-Phenyllactic acid
    • Ba 2653
    • MFCD00065928
    • Benzenepropanoic acid, alpha-hydroxy-
    • SC6T4O59BK
    • DL-.beta.-Phenyllactic acid
    • (RS)-2-Hydroxy-3-phenyl-propionic acid
    • CHEBI:25998
    • NSC-2627
    • (+/-)-2-Hydroxy-3-phenylpropanoic acid
    • D-b-Phenyllactic acid
    • (+-)-3-Phenyllactic acid
    • Benzenepropanoic acid, a-hydroxy-
    • DL-alpha-Hydroxycinnamic acid
    • b-Phenyllactate
    • Lactic acid, 3-phenyl-, DL-
    • beta-Phenyllactate
    • 2-hydroxy-3-phenyl-propanoic acid
    • DL-b-Phenyllactate
    • NSC 2627
    • EINECS 212-580-4
    • DL-3-Phenyllactate
    • Benzyl-glycolic Acid
    • DL-beta-Phenyllactate
    • Benzenepropanoic acid, .alpha.-hydroxy-
    • DL--Phenyllactic acid
    • beta-phenyl lactic acid
    • AI3-50440
    • a-Hydroxybenzenepropanoate
    • Lactic acid, 3-phenyl-
    • (1)-3-Phenyllactic acid
    • UNII-SC6T4O59BK
    • alpha-Hydroxybenzenepropanoate
    • SCHEMBL57558
    • 2-Hydroxy-3-phenylpropionate
    • 3-Phenyl-2-hydroxypropanoate
    • a-Hydroxybenzenepropanoic acid
    • (+/-)-3-Phenyllactic acid
    • (A+/-)-3-Phenyllactic acid
    • 3-PHENYL-DL-LACTIC ACID
    • CHEMBL1778420
    • DL-.alpha.-Hydroxycinnamic acid
    • DL-2-Hydroxy-3-phenylpropionate
    • 3-Phenyl-2-hydroxypropanoic acid
    • 3-Phenyl-2-hydroxypropionic acid
    • alpha-Hydroxybenzenepropanoic acid
    • DTXSID30862436
    • NSC2627
    • DL-3-Phenyllactic acid, >=98%
    • DL-3-Phenyllactic acid (Standard)
    • HY-W017162R
    • 2-Hydroxy-3-phenylpropanoic acid #
    • AC1610
    • DL-2-Hydroxy-3-phenylpropionic acid
    • AKOS009103896
    • CS-W017878
    • FP10242
    • HY-W017162
    • (2rs)-2-hydroxy-3-phenylpropanoic acid
    • (RS)-2-hydroxy-3-phenyl propanoic acid
    • AS-19567
    • SY020879
    • SY021341
    • SY036063
    • DB-011663
    • DB-056660
    • NS00079831
    • EN300-124810
    • Benzenepropanoic acid, .alpha.-hydroxy-, (S)-
    • Q10395585
    • 8C1DB5C8-C19C-4963-8F3E-B683EAB4B04F
    • F9995-2643
    • Z788000648
    • (R)-3-Phenyllactic acid; (R)-2-Hydroxy-3-phenylpropionic acid
    • (+/-)-2-Hydroxy-3-phenylpropionic acid, DL-alpha-Hydroxyhydrocinnamic acid, DL-beta-Phenyllactic acid

  • Applications

    DL-3-Phenyllactic acid (CAS 828-01-3) is a fermentation-derived alpha-hydroxy acid with antimicrobial properties; in industrial contexts it is commonly explored as a natural preservative or antimicrobial additive in cosmetics and personal care formulations and as an active component in food-contact packaging materials. As a chemical intermediate, it is used for the synthesis of esters and other derivatives employed in fragrance and flavor chemistry and serves as a building block in pharmaceutical and agrochemical syntheses. It is also studied as a precursor or functional component for specialty polymers and biodegradable materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.3
    methanol 160.95
    isopropanol 25.41
    water 24.25
    ethyl acetate 40.05
    n-propanol 21.04
    acetone 32.44
    n-butanol 16.24
    acetonitrile 4.21
    DMF 154.98
    toluene 4.65
    isobutanol 17.32
    1,4-dioxane 14.61
    methyl acetate 10.86
    THF 51.17
    2-butanone 14.74
    n-pentanol 14.46
    sec-butanol 20.07
    n-hexane 0.38
    ethylene glycol 154.0
    NMP 214.93
    cyclohexane 0.61
    DMSO 217.42
    n-butyl acetate 17.72
    n-octanol 9.75
    chloroform 0.67
    n-propyl acetate 13.11
    acetic acid 100.27
    dichloromethane 1.36
    cyclohexanone 29.23
    propylene glycol 77.61
    isopropyl acetate 26.04
    DMAc 266.22
    2-ethoxyethanol 130.9
    isopentanol 34.17
    n-heptane 1.45
    ethyl formate 15.03
    1,2-dichloroethane 3.31
    n-hexanol 33.2
    2-methoxyethanol 259.16
    isobutyl acetate 5.95
    tetrachloromethane 0.92
    n-pentyl acetate 9.51
    transcutol 219.99
    n-heptanol 17.21
    ethylbenzene 4.53
    MIBK 29.24
    2-propoxyethanol 103.93
    tert-butanol 85.45
    MTBE 17.44
    2-butoxyethanol 52.21
    propionic acid 49.16
    o-xylene 9.9
    formic acid 245.85
    diethyl ether 5.99
    m-xylene 9.8
    p-xylene 4.82
    chlorobenzene 2.34
    dimethyl carbonate 26.19
    n-octane 0.55
    formamide 349.51
    cyclopentanone 51.25
    2-pentanone 29.25
    anisole 17.17
    cyclopentyl methyl ether 29.07
    gamma-butyrolactone 83.3
    1-methoxy-2-propanol 163.72
    pyridine 9.72
    3-pentanone 12.72
    furfural 67.62
    n-dodecane 0.48
    diethylene glycol 164.8
    diisopropyl ether 6.63
    tert-amyl alcohol 68.63
    acetylacetone 62.37
    n-hexadecane 0.53
    acetophenone 25.67
    methyl propionate 34.59
    isopentyl acetate 19.16
    trichloroethylene 5.62
    n-nonanol 10.01
    cyclohexanol 19.14
    benzyl alcohol 24.54
    2-ethylhexanol 17.89
    isooctanol 14.8
    dipropyl ether 10.84
    1,2-dichlorobenzene 4.46
    ethyl lactate 27.37
    propylene carbonate 37.18
    n-methylformamide 102.87
    2-pentanol 19.4
    n-pentane 0.38
    1-propoxy-2-propanol 63.42
    1-methoxy-2-propyl acetate 41.99
    2-(2-methoxypropoxy) propanol 59.78
    mesitylene 7.66
    ε-caprolactone 39.3
    p-cymene 6.79
    epichlorohydrin 40.41
    1,1,1-trichloroethane 2.07
    2-aminoethanol 160.01
    morpholine-4-carbaldehyde 146.71
    sulfolane 152.38
    2,2,4-trimethylpentane 1.0
    2-methyltetrahydrofuran 31.25
    n-hexyl acetate 13.92
    isooctane 0.96
    2-(2-butoxyethoxy)ethanol 86.13
    sec-butyl acetate 11.86
    tert-butyl acetate 36.87
    decalin 1.03
    glycerin 179.98
    diglyme 134.18
    acrylic acid 58.14
    isopropyl myristate 7.19
    n-butyric acid 51.29
    acetyl acetate 20.78
    di(2-ethylhexyl) phthalate 12.51
    ethyl propionate 16.3
    nitromethane 110.46
    1,2-diethoxyethane 21.43
    benzonitrile 8.26
    trioctyl phosphate 9.78
    1-bromopropane 0.82
    gamma-valerolactone 86.27
    n-decanol 8.47
    triethyl phosphate 12.56
    4-methyl-2-pentanol 22.07
    propionitrile 3.43
    vinylene carbonate 21.29
    1,1,2-trichlorotrifluoroethane 78.76
    DMS 17.65
    cumene 5.3
    2-octanol 7.96
    2-hexanone 11.6
    octyl acetate 10.24
    limonene 8.88
    1,2-dimethoxyethane 70.83
    ethyl orthosilicate 11.82
    tributyl phosphate 9.65
    diacetone alcohol 107.0
    N,N-dimethylaniline 20.58
    acrylonitrile 8.13
    aniline 11.65
    1,3-propanediol 139.99
    bromobenzene 1.78
    dibromomethane 0.8
    1,1,2,2-tetrachloroethane 6.06
    2-methyl-cyclohexyl acetate 17.28
    tetrabutyl urea 17.8
    diisobutyl methanol 13.63
    2-phenylethanol 27.14
    styrene 3.63
    dioctyl adipate 13.93
    dimethyl sulfate 64.9
    ethyl butyrate 15.53
    methyl lactate 64.0
    butyl lactate 21.01
    diethyl carbonate 10.26
    propanediol butyl ether 54.33
    triethyl orthoformate 12.3
    p-tert-butyltoluene 6.85
    methyl 4-tert-butylbenzoate 34.31
    morpholine 29.21
    tert-butylamine 24.55
    n-dodecanol 6.69
    dimethoxymethane 79.7
    ethylene carbonate 16.74
    cyrene 64.46
    2-ethoxyethyl acetate 21.37
    2-ethylhexyl acetate 11.83
    1,2,4-trichlorobenzene 6.74
    4-methylpyridine 10.89
    dibutyl ether 4.57
    2,6-dimethyl-4-heptanol 13.63
    DEF 70.39
    dimethyl isosorbide 80.54
    tetrachloroethylene 7.22
    eugenol 37.18
    triacetin 24.96
    span 80 41.74
    1,4-butanediol 62.16
    1,1-dichloroethane 1.05
    2-methyl-1-pentanol 25.08
    methyl formate 55.4
    2-methyl-1-butanol 26.71
    n-decane 0.63
    butyronitrile 3.85
    3,7-dimethyl-1-octanol 13.33
    1-chlorooctane 2.2
    1-chlorotetradecane 1.38
    n-nonane 0.55
    undecane 0.55
    tert-butylcyclohexane 1.16
    cyclooctane 0.61
    cyclopentanol 26.29
    tetrahydropyran 5.76
    tert-amyl methyl ether 23.12
    2,5,8-trioxanonane 105.39
    1-hexene 1.3
    2-isopropoxyethanol 76.73
    2,2,2-trifluoroethanol 48.69
    methyl butyrate 21.46

    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