4-(Hydroxymethyl)benzoic acid

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  • Identifiers

    CAS number
    3006-96-0

    Molecular formula
    C8H8O3

    SMILES
    C1=CC(=CC=C1CO)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 52.69%
    Balsamic 47.14%
    Sweet 44.27%
    Vanilla 40.75%
    Odorless 37.78%
    Almond 35.16%
    Aromatic 34.86%
    Bitter 34.14%
    Burnt 33.78%
    Nutty 33.44%

     

    Flavor
    Sweet 63.42%
    Balsam 42.24%
    Faint 41.71%
    Balsamic 37.79%
    Odorless 37.7%
    Mild 37.2%
    Phenolic 36.72%
    Sour 36.24%
    Nutty 34.34%
    Almond 32.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.25 (neutral)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 176.49 ˚C est.

  • Synonyms

    • 4-(Hydroxymethyl)benzoic acid
    • 3006-96-0
    • Benzoic acid, 4-(hydroxymethyl)-
    • UNII-9Z28L8STHD
    • 9Z28L8STHD
    • p-(hydroxymethyl)benzoic acid
    • P-CARBOXYBENZYL ALCOHOL
    • DTXSID40184111
    • .ALPHA.-HYDROXY-P-TOLUIC ACID
    • RefChem:97475
    • DTXCID50106602
    • ALPHA-HYDROXY-P-TOLUIC ACID
    • 628-233-9
    • 4-HYDROXYMETHYLBENZOIC ACID
    • HMBA Linker
    • MFCD00017598
    • 4-hydroxymethyl-benzoic acid
    • 4-(hydroxymethyl)-benzoic acid
    • CHEMBL4636837
    • 96937-45-0
    • M02899
    • 4-(Hydroxymethyl)benzoicacid
    • p-hydroxymethyl benzoic acid
    • Benzoic acid, 4-hydroxymethyl-
    • Enamine_005867
    • E5X
    • Fenpyroximate M-16
    • 4-Carboxybenzylalcohol
    • Eprosartan USP Rc E
    • p-Hydroxymethylbenzoic Acid
    • SCHEMBL49984
    • SCHEMBL126464
    • SCHEMBL423964
    • 4-(Hydroxylmethyl)benzoic acid
    • SCHEMBL16280136
    • SCHEMBL27891925
    • HMS1410K15
    • ALBB-029043
    • BDBM50540780
    • CCG-49783
    • EBC-04309
    • RB3326
    • SBB052730
    • 4-(Hydroxymethyl)benzoic acid, 99%
    • AKOS001053879
    • AC-3060
    • CS-W018100
    • FH47324
    • HY-W017384
    • IDI1_008102
    • 58590-49-1
    • SY003712
    • TS-02011
    • DB-013127
    • HMBA Linker, 4-(Hydroxmethyl)benzoic acid
    • H0769
    • NS00067387
    • ST50824323
    • EN300-17313
    • 006H960
    • SR-01000639214-1
    • Q27273399
    • Z56917404
    • 4AY
    • 3006-96-0

  • Applications

    Chemical name: 4-(Hydroxymethyl)benzoic acid; CAS number: 3006-96-0. 4-(Hydroxymethyl)benzoic acid is a versatile building block used in a range of industrial syntheses. In pharmaceutical and agrochemical development, it serves as an intermediate for downstream transformations at the para-hydroxymethyl and carboxyl functional groups. It also acts as a precursor for specialty polymers and resins, allowing polyester formation or crosslinking in coatings and adhesives. In fragrance and cosmetics chemistry, it can serve as a modular aryl scaffold for the preparation of aroma compounds and other cosmetic additives. Additionally, it is used as a precursor in dye and pigment chemistry and may appear in coatings and ink formulations as a resin component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 120.94
    methanol 155.84
    isopropanol 81.23
    water 2.69
    ethyl acetate 16.58
    n-propanol 77.45
    acetone 25.67
    n-butanol 47.69
    acetonitrile 4.63
    DMF 81.26
    toluene 2.43
    isobutanol 36.52
    1,4-dioxane 26.39
    methyl acetate 15.26
    THF 48.6
    2-butanone 24.6
    n-pentanol 22.6
    sec-butanol 54.6
    n-hexane 0.52
    ethylene glycol 60.84
    NMP 249.79
    cyclohexane 0.47
    DMSO 276.49
    n-butyl acetate 12.7
    n-octanol 12.24
    chloroform 1.37
    n-propyl acetate 6.95
    acetic acid 48.16
    dichloromethane 2.0
    cyclohexanone 17.06
    propylene glycol 46.7
    isopropyl acetate 12.02
    DMAc 131.22
    2-ethoxyethanol 93.5
    isopentanol 44.38
    n-heptane 0.99
    ethyl formate 8.0
    1,2-dichloroethane 3.93
    n-hexanol 28.1
    2-methoxyethanol 174.98
    isobutyl acetate 1.91
    tetrachloromethane 1.91
    n-pentyl acetate 9.82
    transcutol 224.39
    n-heptanol 17.59
    ethylbenzene 2.17
    MIBK 18.05
    2-propoxyethanol 73.0
    tert-butanol 105.97
    MTBE 20.08
    2-butoxyethanol 47.28
    propionic acid 42.55
    o-xylene 4.88
    formic acid 103.78
    diethyl ether 13.45
    m-xylene 4.22
    p-xylene 2.04
    chlorobenzene 1.69
    dimethyl carbonate 13.0
    n-octane 0.36
    formamide 213.6
    cyclopentanone 36.45
    2-pentanone 24.46
    anisole 10.29
    cyclopentyl methyl ether 24.02
    gamma-butyrolactone 58.72
    1-methoxy-2-propanol 110.28
    pyridine 11.06
    3-pentanone 13.74
    furfural 44.86
    n-dodecane 0.26
    diethylene glycol 89.62
    diisopropyl ether 5.63
    tert-amyl alcohol 82.42
    acetylacetone 27.2
    n-hexadecane 0.29
    acetophenone 15.22
    methyl propionate 20.83
    isopentyl acetate 12.1
    trichloroethylene 6.88
    n-nonanol 11.05
    cyclohexanol 19.8
    benzyl alcohol 14.25
    2-ethylhexanol 13.56
    isooctanol 13.73
    dipropyl ether 8.54
    1,2-dichlorobenzene 3.13
    ethyl lactate 15.16
    propylene carbonate 22.24
    n-methylformamide 73.3
    2-pentanol 35.79
    n-pentane 0.77
    1-propoxy-2-propanol 47.89
    1-methoxy-2-propyl acetate 27.72
    2-(2-methoxypropoxy) propanol 49.51
    mesitylene 3.56
    ε-caprolactone 27.65
    p-cymene 4.3
    epichlorohydrin 41.13
    1,1,1-trichloroethane 2.92
    2-aminoethanol 109.21
    morpholine-4-carbaldehyde 102.15
    sulfolane 158.65
    2,2,4-trimethylpentane 1.05
    2-methyltetrahydrofuran 38.81
    n-hexyl acetate 14.18
    isooctane 0.87
    2-(2-butoxyethoxy)ethanol 71.41
    sec-butyl acetate 5.09
    tert-butyl acetate 23.69
    decalin 0.57
    glycerin 89.65
    diglyme 104.66
    acrylic acid 42.58
    isopropyl myristate 5.27
    n-butyric acid 29.7
    acetyl acetate 8.26
    di(2-ethylhexyl) phthalate 9.45
    ethyl propionate 8.73
    nitromethane 54.01
    1,2-diethoxyethane 21.31
    benzonitrile 4.61
    trioctyl phosphate 7.69
    1-bromopropane 1.76
    gamma-valerolactone 57.22
    n-decanol 7.85
    triethyl phosphate 9.36
    4-methyl-2-pentanol 20.94
    propionitrile 5.49
    vinylene carbonate 12.78
    1,1,2-trichlorotrifluoroethane 61.48
    DMS 12.98
    cumene 2.52
    2-octanol 9.24
    2-hexanone 8.37
    octyl acetate 7.82
    limonene 6.57
    1,2-dimethoxyethane 52.41
    ethyl orthosilicate 8.24
    tributyl phosphate 7.64
    diacetone alcohol 70.36
    N,N-dimethylaniline 12.86
    acrylonitrile 8.53
    aniline 10.48
    1,3-propanediol 108.74
    bromobenzene 1.12
    dibromomethane 1.35
    1,1,2,2-tetrachloroethane 6.69
    2-methyl-cyclohexyl acetate 10.45
    tetrabutyl urea 13.37
    diisobutyl methanol 9.73
    2-phenylethanol 18.58
    styrene 1.89
    dioctyl adipate 9.76
    dimethyl sulfate 43.88
    ethyl butyrate 9.92
    methyl lactate 33.21
    butyl lactate 18.47
    diethyl carbonate 6.81
    propanediol butyl ether 52.65
    triethyl orthoformate 8.56
    p-tert-butyltoluene 4.59
    methyl 4-tert-butylbenzoate 29.41
    morpholine 59.12
    tert-butylamine 36.15
    n-dodecanol 5.05
    dimethoxymethane 53.59
    ethylene carbonate 8.87
    cyrene 52.97
    2-ethoxyethyl acetate 21.16
    2-ethylhexyl acetate 8.08
    1,2,4-trichlorobenzene 5.15
    4-methylpyridine 9.03
    dibutyl ether 4.92
    2,6-dimethyl-4-heptanol 9.73
    DEF 46.58
    dimethyl isosorbide 65.62
    tetrachloroethylene 8.42
    eugenol 29.51
    triacetin 20.78
    span 80 34.67
    1,4-butanediol 37.66
    1,1-dichloroethane 1.88
    2-methyl-1-pentanol 23.81
    methyl formate 29.41
    2-methyl-1-butanol 39.32
    n-decane 0.44
    butyronitrile 4.91
    3,7-dimethyl-1-octanol 12.7
    1-chlorooctane 2.2
    1-chlorotetradecane 0.83
    n-nonane 0.39
    undecane 0.34
    tert-butylcyclohexane 0.74
    cyclooctane 0.35
    cyclopentanol 31.17
    tetrahydropyran 11.79
    tert-amyl methyl ether 22.35
    2,5,8-trioxanonane 77.42
    1-hexene 1.64
    2-isopropoxyethanol 49.87
    2,2,2-trifluoroethanol 30.45
    methyl butyrate 10.37

    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