3'-Hydroxyphenylacetic acid

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  • Identifiers

    CAS number
    621-37-4

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 56.56%
    Honey 42.43%
    Animal 41.93%
    Sweet 33.63%
    Balsamic 32.73%
    Odorless 31.37%
    Floral 29.74%
    Powdery 29.66%
    Sour 28.65%
    Nutty 27.1%

     

    Flavor
    Mild 46.8%
    Odorless 44.61%
    Sour 42.87%
    Phenolic 42.62%
    Nutty 35.22%
    Sweet 28.89%
    Musty 28.51%
    Faint 26.37%
    Waxy 25.21%
    Honeysuckle 24.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.01 (weak base)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Melting point expt.

    • 129 °C

    Flash point

    • 177.29 ˚C est.

    Solubility expt.

    • 1000.0 mg/mL

  • Synonyms

    • 3-Hydroxyphenylacetic acid
    • 621-37-4
    • 2-(3-hydroxyphenyl)acetic acid
    • (3-Hydroxyphenyl)acetic acid
    • 3-Hydroxybenzeneacetic acid
    • (m-Hydroxyphenyl)acetic acid
    • Benzeneacetic acid, 3-hydroxy-
    • Acetic acid, (m-hydroxyphenyl)-
    • K59Z6Z8REF
    • NSC-14360
    • CHEBI:17445
    • HMDB00440
    • DTXSID90211148
    • 3'-HYDROXYPHENYLACETIC ACID
    • meta-hydroxyphenylacetic acid
    • RefChem:502526
    • DTXCID90133639
    • 210-684-4
    • M-HYDROXYPHENYLACETIC ACID
    • 3-Hydroxyphenylacetate
    • Metahydroxy phenylacetic acid
    • MFCD00004337
    • (3-Hydroxy-phenyl)-acetic acid
    • CHEMBL190035
    • m-hydroxyphenylacetate
    • 3-Hydroxyphenylaceticacid
    • 3HP
    • EINECS 210-684-4
    • NSC 14360
    • UNII-K59Z6Z8REF
    • 3pce
    • 3-hydroxy-benzeneacetate
    • Olopatadine Impurity 33
    • bmse000339
    • 3-hydroxy phenylacetic acid
    • 3-hydroxy-phenylacetic acid
    • 3-hydroxyphenyl acetic acid
    • (3-hydroxy-phenyl)-acetate
    • 3-hydroxy-benzeneacetic acid
    • (3-hydroxy)phenylacetic acid
    • 3-hydroxy phenyl acetic acid
    • 3-hydroxy-phenyl acetic acid
    • 3-Hydroxy-phenyl-acetic acid
    • SCHEMBL337470
    • Acetic acid, 3-hydroxyphenyl-
    • orb1302529
    • SCHEMBL5846956
    • SCHEMBL7766195
    • SCHEMBL9361879
    • SCHEMBL10461758
    • SCHEMBL10462353
    • SCHEMBL30024342
    • 2-(3-hydroxyphenyl)-acetic acid
    • NSC14360
    • 3-Hydroxyphenylacetic acid, >=99%
    • AB3840
    • BDBM50168283
    • EBC-03394
    • s3364
    • SBB063147
    • AKOS005259462
    • CS-W001083
    • FH24477
    • HY-W001083
    • PS-3166
    • Benzeneacetic acid, 3-hydroxy- (9CI)
    • Acetic acid, (m-hydroxyphenyl)- (8CI)
    • AC-23554
    • BP-30187
    • PD098600
    • SY013505
    • DB-002809
    • H0356
    • NS00014720
    • ST50824314
    • EN300-54805
    • C05593
    • 621H374
    • AE-562/43460507
    • F079029
    • Q10395566
    • Z816000338
    • 2-(3 inverted exclamation marka-Hydroxyphenyl)acetic acid
    • 91827D95-20B5-4654-B5F1-90598A532D49
    • InChI=1/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11
    • 621-37-4

  • Applications

    3'-Hydroxyphenylacetic acid (CAS 621-37-4) is a synthetic building block used across several industrial areas: as an aroma precursor in fragrance chemistry and flavor formulation; in cosmetics/personal care to prepare fragrance-related esters and functional derivatives; as an intermediate in the synthesis of pharmaceutical compounds and related derivatives; as a precursor for functional polymers and polyester materials; and as a dye or functional additive precursor for coatings and inks. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.43
    methanol 287.88
    isopropanol 109.06
    water 19.08
    ethyl acetate 69.36
    n-propanol 110.85
    acetone 171.71
    n-butanol 77.54
    acetonitrile 61.54
    DMF 599.2
    toluene 1.54
    isobutanol 60.39
    1,4-dioxane 263.08
    methyl acetate 64.74
    THF 302.08
    2-butanone 60.59
    n-pentanol 56.61
    sec-butanol 55.87
    n-hexane 0.62
    ethylene glycol 189.06
    NMP 282.09
    cyclohexane 0.25
    DMSO 438.51
    n-butyl acetate 32.21
    n-octanol 63.85
    chloroform 0.92
    n-propyl acetate 42.98
    acetic acid 183.78
    dichloromethane 2.72
    cyclohexanone 57.61
    propylene glycol 173.68
    isopropyl acetate 42.11
    DMAc 300.12
    2-ethoxyethanol 230.59
    isopentanol 57.58
    n-heptane 1.87
    ethyl formate 63.46
    1,2-dichloroethane 4.57
    n-hexanol 45.85
    2-methoxyethanol 435.4
    isobutyl acetate 20.83
    tetrachloromethane 0.31
    n-pentyl acetate 34.22
    transcutol 509.85
    n-heptanol 40.76
    ethylbenzene 2.19
    MIBK 41.83
    2-propoxyethanol 205.22
    tert-butanol 110.77
    MTBE 29.06
    2-butoxyethanol 116.88
    propionic acid 102.59
    o-xylene 3.2
    formic acid 183.21
    diethyl ether 38.0
    m-xylene 3.53
    p-xylene 2.79
    chlorobenzene 2.26
    dimethyl carbonate 76.68
    n-octane 1.04
    formamide 247.44
    cyclopentanone 130.85
    2-pentanone 64.41
    anisole 22.42
    cyclopentyl methyl ether 53.44
    gamma-butyrolactone 217.97
    1-methoxy-2-propanol 317.11
    pyridine 18.96
    3-pentanone 31.41
    furfural 125.05
    n-dodecane 1.86
    diethylene glycol 246.32
    diisopropyl ether 10.31
    tert-amyl alcohol 58.46
    acetylacetone 114.34
    n-hexadecane 2.01
    acetophenone 26.97
    methyl propionate 87.84
    isopentyl acetate 27.42
    trichloroethylene 5.67
    n-nonanol 56.56
    cyclohexanol 31.93
    benzyl alcohol 27.62
    2-ethylhexanol 23.21
    isooctanol 30.29
    dipropyl ether 33.69
    1,2-dichlorobenzene 3.44
    ethyl lactate 58.91
    propylene carbonate 93.62
    n-methylformamide 270.96
    2-pentanol 42.47
    n-pentane 0.64
    1-propoxy-2-propanol 124.39
    1-methoxy-2-propyl acetate 74.42
    2-(2-methoxypropoxy) propanol 123.43
    mesitylene 3.55
    ε-caprolactone 81.87
    p-cymene 5.48
    epichlorohydrin 133.18
    1,1,1-trichloroethane 2.01
    2-aminoethanol 243.12
    morpholine-4-carbaldehyde 360.91
    sulfolane 235.79
    2,2,4-trimethylpentane 0.85
    2-methyltetrahydrofuran 92.57
    n-hexyl acetate 65.61
    isooctane 1.03
    2-(2-butoxyethoxy)ethanol 212.51
    sec-butyl acetate 22.97
    tert-butyl acetate 46.76
    decalin 0.88
    glycerin 276.7
    diglyme 268.96
    acrylic acid 104.37
    isopropyl myristate 28.89
    n-butyric acid 92.23
    acetyl acetate 43.49
    di(2-ethylhexyl) phthalate 30.59
    ethyl propionate 44.76
    nitromethane 331.39
    1,2-diethoxyethane 80.82
    benzonitrile 17.08
    trioctyl phosphate 29.6
    1-bromopropane 2.12
    gamma-valerolactone 255.16
    n-decanol 43.51
    triethyl phosphate 22.3
    4-methyl-2-pentanol 27.15
    propionitrile 35.75
    vinylene carbonate 64.9
    1,1,2-trichlorotrifluoroethane 93.53
    DMS 48.62
    cumene 3.24
    2-octanol 26.44
    2-hexanone 37.43
    octyl acetate 43.41
    limonene 8.06
    1,2-dimethoxyethane 234.05
    ethyl orthosilicate 19.83
    tributyl phosphate 28.84
    diacetone alcohol 110.08
    N,N-dimethylaniline 20.54
    acrylonitrile 51.54
    aniline 10.27
    1,3-propanediol 222.53
    bromobenzene 1.24
    dibromomethane 1.15
    1,1,2,2-tetrachloroethane 5.42
    2-methyl-cyclohexyl acetate 27.58
    tetrabutyl urea 46.87
    diisobutyl methanol 19.55
    2-phenylethanol 28.8
    styrene 2.12
    dioctyl adipate 49.49
    dimethyl sulfate 108.24
    ethyl butyrate 33.81
    methyl lactate 119.5
    butyl lactate 55.51
    diethyl carbonate 24.5
    propanediol butyl ether 157.29
    triethyl orthoformate 28.9
    p-tert-butyltoluene 5.68
    methyl 4-tert-butylbenzoate 65.99
    morpholine 263.85
    tert-butylamine 31.54
    n-dodecanol 31.59
    dimethoxymethane 324.68
    ethylene carbonate 60.56
    cyrene 117.22
    2-ethoxyethyl acetate 67.09
    2-ethylhexyl acetate 18.18
    1,2,4-trichlorobenzene 5.28
    4-methylpyridine 19.48
    dibutyl ether 31.54
    2,6-dimethyl-4-heptanol 19.55
    DEF 106.86
    dimethyl isosorbide 167.22
    tetrachloroethylene 2.87
    eugenol 74.75
    triacetin 81.43
    span 80 105.62
    1,4-butanediol 100.44
    1,1-dichloroethane 2.25
    2-methyl-1-pentanol 35.62
    methyl formate 206.86
    2-methyl-1-butanol 46.85
    n-decane 2.57
    butyronitrile 34.14
    3,7-dimethyl-1-octanol 38.64
    1-chlorooctane 10.59
    1-chlorotetradecane 5.55
    n-nonane 2.05
    undecane 2.16
    tert-butylcyclohexane 1.17
    cyclooctane 0.31
    cyclopentanol 63.02
    tetrahydropyran 62.03
    tert-amyl methyl ether 26.22
    2,5,8-trioxanonane 220.35
    1-hexene 2.91
    2-isopropoxyethanol 122.89
    2,2,2-trifluoroethanol 73.87
    methyl butyrate 48.27

    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