3-Hydroxybenzoic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    99-06-9

    Molecular formula
    C7H6O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 69.89%
    Odorless 51.08%
    Nutty 39.33%
    Balsamic 37.1%
    Burnt 35.75%
    Medicinal 34.2%
    Aromatic 28.97%
    Vanilla 28.71%
    Animal 28.06%
    Bitter 27.59%

     

    Flavor
    Phenolic 65.64%
    Nutty 56.23%
    Odorless 45.47%
    Mild 44.27%
    Faint 37.94%
    Sour 33.74%
    Balsam 33.05%
    Balsamic 29.99%
    Musty 26.46%
    Urine 26.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.07 (weak base)

    Molecular weight
    138.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Melting point expt.

    • 202 °C

    Flash point

    • 159.28 ˚C est.

    Solubility expt.

    • 7.25 mg/mL at 25 °C
    • Soluble
    • Soluble (in ethanol)

  • Synonyms

    • 3-Hydroxybenzoic acid
    • 99-06-9
    • M-HYDROXYBENZOIC ACID
    • m-Salicylic acid
    • 3-Carboxyphenol
    • Benzoic acid, 3-hydroxy-
    • Benzoic acid, m-hydroxy-
    • m-Hba
    • Acido m-idrossibenzoico
    • 3-Hydroxy benzoic acid
    • Kyselina 3-hydroxybenzoova
    • NSC 55746
    • 3-hydroxy-benzoic acid
    • m-carboxyphenol
    • meta-Hydroxybenzoic acid
    • m-hydroxybenzoate
    • UNII-2ZFW40OJ7U
    • EINECS 202-726-5
    • 2ZFW40OJ7U
    • MFCD00002506
    • BRN 0508160
    • DTXSID6021610
    • CHEBI:30764
    • AI3-03110
    • NSC-55746
    • AC PE 3HB
    • CHEMBL65369
    • DTXCID601610
    • 3HB
    • Acido m-idrossibenzoico [Italian]
    • Kyselina 3-hydroxybenzoova [Czech]
    • m-salicylate
    • 3pcb
    • 3-hydroxy benzoate
    • meta-hydroxybenzoate
    • 3-Hydroxybenzoicacid
    • 3-hydroxybenzoic-acid
    • metahydroxybenzoic acid
    • 3-Hydroxybenzoate, II
    • Enamine_005356
    • bmse000324
    • SCHEMBL40078
    • HMS1409D10
    • NSC55746
    • Tox21_200527
    • BBL011983
    • BDBM50336491
    • s6367
    • STL163473
    • AKOS000118958
    • CS-W004049
    • FH37275
    • HY-W004049
    • PS-5406
    • CAS-99-06-9
    • NCGC00248676-01
    • NCGC00258081-01
    • PD144440
    • 3-Hydroxybenzoic acid, analytical standard
    • DB-028515
    • H0205
    • NS00014563
    • 3-Hydroxybenzoic acid, ReagentPlus(R), 99%
    • EN300-17318
    • C00587
    • H60032
    • AE-562/40227537
    • doi:10.14272/IJFXRHURBJZNAO-UHFFFAOYSA-N.1
    • Q2823216
    • 3-Hydroxybenzoic acid, Vetec(TM) reagent grade, 98%
    • Z56919254
    • F9995-1635
    • 713EC407-4844-477D-8207-DBD66E398D2C
    • InChI=1/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10
    • 202-726-5
    • 25302-76-5

  • Applications

    3-Hydroxybenzoic acid (CAS 99-06-9) is an aromatic phenolic acid widely used as an intermediate and synthetic building block: to prepare esters, amides, ethers and acyl halides for the manufacture of active pharmaceutical ingredients/intermediates, colorants and azo/chromophoric dyes, flavors and fragrances, as well as diverse agrochemical actives; it also serves as a ligand for metal complexes and metal–organic frameworks (MOFs), a chelating agent and crystallization/modulating additive; it is employed as an analytical reference or internal standard in HPLC/GC/MS and as a probe in studies of phenolic metabolism and hydroxylase/decarboxylase enzymes; it finds use in polymer modification and surface functionalization, in the synthesis of specialty monomers/intermediates such as m‑hydroxybenzoyl chloride; furthermore, owing to its phenolic and carboxylic groups, it exhibits measurable antioxidant/antimicrobial behavior leveraged in materials and bioscience research as a radical scavenger, hydrogen‑bonding motif, and pH/buffering component under laboratory conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 302.32
    methanol 398.4
    isopropanol 250.31
    water 22.45
    ethyl acetate 75.82
    n-propanol 210.11
    acetone 240.17
    n-butanol 161.95
    acetonitrile 40.59
    DMF 1221.06
    toluene 6.38
    isobutanol 139.05
    1,4-dioxane 280.38
    methyl acetate 106.85
    THF 1260.71
    2-butanone 152.72
    n-pentanol 141.27
    sec-butanol 170.6
    n-hexane 2.49
    ethylene glycol 248.3
    NMP 214.4
    cyclohexane 0.7
    DMSO 916.79
    n-butyl acetate 63.08
    n-octanol 78.41
    chloroform 15.31
    n-propyl acetate 73.37
    acetic acid 58.96
    dichloromethane 18.81
    cyclohexanone 78.49
    propylene glycol 111.96
    isopropyl acetate 56.23
    DMAc 694.92
    2-ethoxyethanol 368.25
    isopentanol 145.17
    n-heptane 3.77
    ethyl formate 76.95
    1,2-dichloroethane 33.54
    n-hexanol 145.4
    2-methoxyethanol 515.74
    isobutyl acetate 28.5
    tetrachloromethane 10.47
    n-pentyl acetate 44.15
    transcutol 147.18
    n-heptanol 93.02
    ethylbenzene 13.69
    MIBK 93.15
    2-propoxyethanol 299.75
    tert-butanol 346.48
    MTBE 127.8
    2-butoxyethanol 169.33
    propionic acid 54.7
    o-xylene 12.12
    formic acid 132.59
    diethyl ether 64.61
    m-xylene 14.24
    p-xylene 13.79
    chlorobenzene 7.77
    dimethyl carbonate 80.31
    n-octane 2.71
    formamide 247.48
    cyclopentanone 251.86
    2-pentanone 132.89
    anisole 86.02
    cyclopentyl methyl ether 137.87
    gamma-butyrolactone 201.97
    1-methoxy-2-propanol 326.87
    pyridine 43.4
    3-pentanone 58.67
    furfural 120.93
    n-dodecane 3.46
    diethylene glycol 320.15
    diisopropyl ether 23.41
    tert-amyl alcohol 231.73
    acetylacetone 124.22
    n-hexadecane 3.69
    acetophenone 57.55
    methyl propionate 102.47
    isopentyl acetate 51.36
    trichloroethylene 40.8
    n-nonanol 69.91
    cyclohexanol 54.42
    benzyl alcohol 67.48
    2-ethylhexanol 60.31
    isooctanol 66.73
    dipropyl ether 52.24
    1,2-dichlorobenzene 13.15
    ethyl lactate 56.42
    propylene carbonate 57.68
    n-methylformamide 372.01
    2-pentanol 110.61
    n-pentane 1.72
    1-propoxy-2-propanol 157.29
    1-methoxy-2-propyl acetate 81.0
    2-(2-methoxypropoxy) propanol 103.96
    mesitylene 12.48
    ε-caprolactone 68.44
    p-cymene 15.17
    epichlorohydrin 299.3
    1,1,1-trichloroethane 20.59
    2-aminoethanol 278.98
    morpholine-4-carbaldehyde 283.86
    sulfolane 224.95
    2,2,4-trimethylpentane 2.33
    2-methyltetrahydrofuran 258.88
    n-hexyl acetate 58.86
    isooctane 2.94
    2-(2-butoxyethoxy)ethanol 150.21
    sec-butyl acetate 41.37
    tert-butyl acetate 80.08
    decalin 2.27
    glycerin 184.99
    diglyme 267.45
    acrylic acid 45.14
    isopropyl myristate 29.54
    n-butyric acid 69.37
    acetyl acetate 27.41
    di(2-ethylhexyl) phthalate 23.75
    ethyl propionate 64.67
    nitromethane 173.01
    1,2-diethoxyethane 59.27
    benzonitrile 32.27
    trioctyl phosphate 28.88
    1-bromopropane 13.56
    gamma-valerolactone 200.44
    n-decanol 55.55
    triethyl phosphate 26.14
    4-methyl-2-pentanol 69.84
    propionitrile 51.96
    vinylene carbonate 41.82
    1,1,2-trichlorotrifluoroethane 146.18
    DMS 33.97
    cumene 15.37
    2-octanol 57.31
    2-hexanone 95.53
    octyl acetate 42.37
    limonene 17.45
    1,2-dimethoxyethane 448.49
    ethyl orthosilicate 26.41
    tributyl phosphate 23.57
    diacetone alcohol 172.2
    N,N-dimethylaniline 67.82
    acrylonitrile 71.49
    aniline 24.25
    1,3-propanediol 274.99
    bromobenzene 5.36
    dibromomethane 8.8
    1,1,2,2-tetrachloroethane 47.6
    2-methyl-cyclohexyl acetate 32.93
    tetrabutyl urea 43.02
    diisobutyl methanol 37.78
    2-phenylethanol 78.16
    styrene 12.03
    dioctyl adipate 33.95
    dimethyl sulfate 144.59
    ethyl butyrate 46.78
    methyl lactate 89.07
    butyl lactate 41.65
    diethyl carbonate 27.03
    propanediol butyl ether 106.73
    triethyl orthoformate 29.96
    p-tert-butyltoluene 16.6
    methyl 4-tert-butylbenzoate 70.12
    morpholine 327.35
    tert-butylamine 128.34
    n-dodecanol 41.27
    dimethoxymethane 516.72
    ethylene carbonate 37.0
    cyrene 90.86
    2-ethoxyethyl acetate 52.64
    2-ethylhexyl acetate 34.68
    1,2,4-trichlorobenzene 14.96
    4-methylpyridine 52.19
    dibutyl ether 36.6
    2,6-dimethyl-4-heptanol 37.78
    DEF 183.8
    dimethyl isosorbide 135.63
    tetrachloroethylene 36.85
    eugenol 88.55
    triacetin 35.16
    span 80 68.01
    1,4-butanediol 164.34
    1,1-dichloroethane 20.58
    2-methyl-1-pentanol 106.18
    methyl formate 238.22
    2-methyl-1-butanol 125.92
    n-decane 4.72
    butyronitrile 62.48
    3,7-dimethyl-1-octanol 55.03
    1-chlorooctane 23.45
    1-chlorotetradecane 10.55
    n-nonane 3.98
    undecane 3.97
    tert-butylcyclohexane 3.58
    cyclooctane 0.75
    cyclopentanol 125.53
    tetrahydropyran 110.63
    tert-amyl methyl ether 96.09
    2,5,8-trioxanonane 192.41
    1-hexene 14.26
    2-isopropoxyethanol 208.18
    2,2,2-trifluoroethanol 57.67
    methyl butyrate 93.05

    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

Botanical

Name CAS Botanical Proportion
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%