2-(Hydroxymethyl)benzoic acid

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  • Identifiers

    CAS number
    612-20-4

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 47.05%
    Balsamic 46.26%
    Sweet 42.28%
    Odorless 40.09%
    Vanilla 34.79%
    Honey 32.86%
    Floral 31.14%
    Aromatic 30.96%
    Powdery 30.95%
    Sour 30.92%

     

    Flavor
    Sweet 50.02%
    Odorless 44.01%
    Mild 42.52%
    Phenolic 40.34%
    Faint 39.89%
    Sour 38.63%
    Nutty 37.17%
    Balsam 35.78%
    Balsamic 33.49%
    Honey 29.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.95 (neutral)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Melting point expt.

    • 127 - 128 °C

    Flash point

    • 168.7 ˚C est.

    Solubility expt.

    • 4.28 mg/mL at 20 °C

  • Synonyms

    • 2-(HYDROXYMETHYL)BENZOIC ACID
    • 612-20-4
    • 2-Hydroxymethylbenzoic acid
    • 2-Hydroxymethyl-benzoic acid
    • UNII-KJ3Z1IJ8O3
    • KJ3Z1IJ8O3
    • 2-(hydroxymethyl)-benzoic acid
    • 2-methylolbenzoic acid
    • EINECS 210-298-6
    • NSC 30638
    • NSC-30638
    • O-(HYDROXYMETHYL)BENZOIC ACID
    • O-CARBOXYBENZYL ALCOHOL
    • a-Hydroxy-O-toluic acid, 8CI
    • Benzyl alcohol 2-carboxylic acid
    • DTXSID30210099
    • 2-hydroxymethylbenzoate
    • RefChem:84750
    • 2-(hydroxymethyl)benzoate
    • DTXCID80132590
    • 210-298-6
    • MGMNPSAERQZUIM-UHFFFAOYSA-N
    • 2-hydroxymethyl benzoic acid
    • Benzoic acid, 2-(hydroxymethyl)-
    • MFCD02151998
    • o-Toluic acid, .alpha.-hydroxy-
    • alpha-Hydroxy-o-toluic acid
    • .alpha.-Hydroxy-o-toluic acid
    • 2-carboxybenzyl alcohol
    • NSC 30638; o-(Hydroxymethyl)benzoic acid
    • Oxytoluylsaure
    • 2-Hydroxymethyl-Benozoic acid
    • 122427-15-0
    • SCHEMBL374696
    • o-Toluic acid, alpha-hydroxy-
    • orb1303914
    • SCHEMBL1598845
    • SCHEMBL9938909
    • SCHEMBL10590831
    • SCHEMBL29246649
    • AAA61220
    • NSC30638
    • 2-(HYDROXYMETHYL)BENZOICACID
    • AB9435
    • BBL018811
    • EBC-53083
    • SBB086825
    • STK039568
    • AKOS005382901
    • HY-W019358
    • o-Toluic acid, alpha-hydroxy- (8CI)
    • AS-10111
    • PD158349
    • SY117339
    • Benzoic acid, 2-(hydroxymethyl)- (9CI)
    • CS-0028786
    • NS00010676
    • EN300-68822
    • F431369
    • Q27282279
    • Z425446262
    • 612-20-4

  • Applications

    2-(Hydroxymethyl)benzoic acid (CAS 612-20-4) is commonly used as an organic synthesis intermediate for preparing benzoic acid derivatives and related functional compounds. It often serves as a building block for polymers and plastics, enabling conversion of the hydroxymethyl and carboxyl groups to esters, amides, or crosslinkable functionalities. In coatings and inks, it is used as a precursor to functionalized benzoate-derived resins with enhanced adhesion and durability. In pharmaceuticals, it can act as an intermediate or starting point for the synthesis of drug-like benzoic acid–type compounds. In cosmetics and personal care, it may be employed as an intermediate for fragrance materials and fragrance-related derivatives. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 133.28
    methanol 197.47
    isopropanol 75.35
    water 7.56
    ethyl acetate 42.69
    n-propanol 87.69
    acetone 114.93
    n-butanol 68.83
    acetonitrile 41.33
    DMF 889.63
    toluene 8.13
    isobutanol 42.89
    1,4-dioxane 339.04
    methyl acetate 57.18
    THF 556.24
    2-butanone 76.27
    n-pentanol 57.97
    sec-butanol 48.95
    n-hexane 2.2
    ethylene glycol 129.23
    NMP 226.59
    cyclohexane 0.97
    DMSO 1072.68
    n-butyl acetate 34.44
    n-octanol 50.91
    chloroform 30.9
    n-propyl acetate 33.18
    acetic acid 54.61
    dichloromethane 31.91
    cyclohexanone 77.73
    propylene glycol 40.68
    isopropyl acetate 32.41
    DMAc 309.15
    2-ethoxyethanol 170.21
    isopentanol 50.24
    n-heptane 3.44
    ethyl formate 37.07
    1,2-dichloroethane 60.96
    n-hexanol 81.15
    2-methoxyethanol 313.12
    isobutyl acetate 13.98
    tetrachloromethane 11.85
    n-pentyl acetate 35.18
    transcutol 144.52
    n-heptanol 64.24
    ethylbenzene 10.74
    MIBK 57.08
    2-propoxyethanol 183.26
    tert-butanol 117.8
    MTBE 51.22
    2-butoxyethanol 112.9
    propionic acid 41.07
    o-xylene 12.6
    formic acid 102.95
    diethyl ether 52.7
    m-xylene 15.85
    p-xylene 10.61
    chlorobenzene 13.87
    dimethyl carbonate 52.11
    n-octane 2.69
    formamide 200.52
    cyclopentanone 189.45
    2-pentanone 78.41
    anisole 43.45
    cyclopentyl methyl ether 93.25
    gamma-butyrolactone 210.47
    1-methoxy-2-propanol 197.04
    pyridine 54.8
    3-pentanone 46.68
    furfural 120.32
    n-dodecane 2.7
    diethylene glycol 213.86
    diisopropyl ether 16.05
    tert-amyl alcohol 72.73
    acetylacetone 87.57
    n-hexadecane 3.02
    acetophenone 38.23
    methyl propionate 59.03
    isopentyl acetate 29.5
    trichloroethylene 76.7
    n-nonanol 45.55
    cyclohexanol 37.06
    benzyl alcohol 39.26
    2-ethylhexanol 35.91
    isooctanol 44.7
    dipropyl ether 33.9
    1,2-dichlorobenzene 19.42
    ethyl lactate 32.65
    propylene carbonate 53.05
    n-methylformamide 269.73
    2-pentanol 43.62
    n-pentane 1.47
    1-propoxy-2-propanol 94.59
    1-methoxy-2-propyl acetate 54.76
    2-(2-methoxypropoxy) propanol 62.13
    mesitylene 12.77
    ε-caprolactone 58.2
    p-cymene 11.68
    epichlorohydrin 254.71
    1,1,1-trichloroethane 28.29
    2-aminoethanol 141.96
    morpholine-4-carbaldehyde 254.37
    sulfolane 347.22
    2,2,4-trimethylpentane 1.93
    2-methyltetrahydrofuran 131.36
    n-hexyl acetate 46.45
    isooctane 2.32
    2-(2-butoxyethoxy)ethanol 102.54
    sec-butyl acetate 18.08
    tert-butyl acetate 49.17
    decalin 2.26
    glycerin 113.98
    diglyme 174.99
    acrylic acid 41.86
    isopropyl myristate 21.33
    n-butyric acid 47.31
    acetyl acetate 21.07
    di(2-ethylhexyl) phthalate 19.23
    ethyl propionate 33.47
    nitromethane 157.85
    1,2-diethoxyethane 46.89
    benzonitrile 26.13
    trioctyl phosphate 22.74
    1-bromopropane 19.88
    gamma-valerolactone 199.43
    n-decanol 34.7
    triethyl phosphate 20.27
    4-methyl-2-pentanol 31.86
    propionitrile 38.63
    vinylene carbonate 42.56
    1,1,2-trichlorotrifluoroethane 132.24
    DMS 31.11
    cumene 10.66
    2-octanol 38.36
    2-hexanone 47.41
    octyl acetate 30.36
    limonene 15.65
    1,2-dimethoxyethane 232.8
    ethyl orthosilicate 19.03
    tributyl phosphate 19.27
    diacetone alcohol 102.31
    N,N-dimethylaniline 37.92
    acrylonitrile 65.65
    aniline 25.81
    1,3-propanediol 143.92
    bromobenzene 10.0
    dibromomethane 20.58
    1,1,2,2-tetrachloroethane 73.95
    2-methyl-cyclohexyl acetate 24.73
    tetrabutyl urea 31.8
    diisobutyl methanol 22.95
    2-phenylethanol 51.54
    styrene 9.77
    dioctyl adipate 25.29
    dimethyl sulfate 118.14
    ethyl butyrate 27.71
    methyl lactate 64.53
    butyl lactate 32.51
    diethyl carbonate 18.18
    propanediol butyl ether 70.49
    triethyl orthoformate 21.07
    p-tert-butyltoluene 13.01
    methyl 4-tert-butylbenzoate 56.19
    morpholine 288.81
    tert-butylamine 49.51
    n-dodecanol 25.93
    dimethoxymethane 338.72
    ethylene carbonate 35.07
    cyrene 69.39
    2-ethoxyethyl acetate 43.59
    2-ethylhexyl acetate 20.67
    1,2,4-trichlorobenzene 21.95
    4-methylpyridine 42.21
    dibutyl ether 24.8
    2,6-dimethyl-4-heptanol 22.95
    DEF 109.87
    dimethyl isosorbide 103.46
    tetrachloroethylene 55.79
    eugenol 65.26
    triacetin 31.56
    span 80 52.7
    1,4-butanediol 73.13
    1,1-dichloroethane 29.32
    2-methyl-1-pentanol 38.57
    methyl formate 161.66
    2-methyl-1-butanol 41.13
    n-decane 4.2
    butyronitrile 37.21
    3,7-dimethyl-1-octanol 32.39
    1-chlorooctane 20.38
    1-chlorotetradecane 8.46
    n-nonane 3.67
    undecane 3.34
    tert-butylcyclohexane 2.79
    cyclooctane 0.93
    cyclopentanol 67.67
    tetrahydropyran 106.68
    tert-amyl methyl ether 41.22
    2,5,8-trioxanonane 122.52
    1-hexene 10.26
    2-isopropoxyethanol 94.56
    2,2,2-trifluoroethanol 48.29
    methyl butyrate 43.38

    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