Beta-Resorcylic Acid

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  • Identifiers

    CAS number
    89-86-1

    Molecular formula
    C7H6O4

    SMILES
    C1=CC(=C(C=C1O)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 68.25%
    Odorless 60.19%
    Nutty 38.22%
    Burnt 32.78%
    Medicinal 31.54%
    Balsamic 27.25%
    Bitter 26.61%
    Smoky 23.85%
    Aromatic 23.04%
    Musty 22.84%

     

    Flavor
    Phenolic 65.16%
    Nutty 51.73%
    Odorless 48.81%
    Mild 47.61%
    Sour 29.01%
    Faint 28.56%
    Musty 27.5%
    Bitter 25.77%
    Very mild 24.54%
    Urine 23.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.71 (neutral)

    Molecular weight
    154.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 226 dec °C
    • 218 - 219 °C

    Boiling point

    • 309.00 to 310.00 °C. @ 760.00 mm Hg

    Flash point

    • 204.87 ˚C est.

    Solubility expt.

    • 5780 mg/L (at 25 °C)
    • 5.78 mg/mL at 25 °C
    • soluble in hot water, organic solvents, oils
    • soluble (in ethanol)

  • Synonyms

    • 2,4-dihydroxybenzoic acid
    • 89-86-1
    • beta-Resorcylic acid
    • 4-Carboxyresorcinol
    • 4-Hydroxysalicylic acid
    • p-Hydroxysalicylic acid
    • Benzoic acid, 2,4-dihydroxy-
    • beta-Resorcinolic acid
    • 2,4-Dhba
    • 2,4-Dihydroxy-benzoic acid
    • .beta.-Resorcylic acid
    • RESORCYLIC ACID, BETA
    • 2,4-Resorcylic acid
    • MFCD00002451
    • .beta.-Resorcinolic acid
    • Coupler 320
    • NSC 13564
    • LU39SC9JYL
    • EINECS 201-946-9
    • Dihydroxybenzoic acid, 2,4-
    • BRN 1946213
    • DTXSID0025074
    • AI3-24366
    • FEMA 3798
    • NSC-4740
    • RESORCINOL-4-CARBOXYLIC ACID
    • NSC-13564
    • MLS001055408
    • DTXCID205074
    • BRA
    • FEMA NO. 3798
    • 4-10-00-01420 (Beilstein Handbook Reference)
    • .BETA.-RESORCYLIC ACID [MI]
    • SMR001227190
    • 2,4-DIHYDROXYBENZOIC ACID [FHFI]
    • 2,4-Dihydroxy benzoic acid
    • 2,4-Dihydroxybenzoicacid
    • UNII-LU39SC9JYL
    • 4Carboxyresorcinol
    • 2,4-Dihydroxybenzoic acid; 4-Carboxyresorcinol; 4-Hydroxysalicylic acid; 2,4-DHBA; p-Hydroxysalicylic acid
    • betaResorcinolic acid
    • ss--Resorcylic acid
    • 2,4Resorcylic acid
    • pHydroxysalicylic acid
    • 4Hydroxysalicylic acid
    • 2,4dihydroxybenzoic acid
    • b-Resorcylic acid, 8CI
    • Resorcylic acid, .beta.
    • 2,4-dihyrdoxybenzoic acid
    • 2.4-dihydroxybenzoic acid
    • beta resoryclic acid form I
    • cid_1491
    • 2,4- dihydroxybenzoic acid
    • Benzoic acid, 2,4dihydroxy
    • Oprea1_259729
    • SCHEMBL28080
    • 2,4DHBA
    • 2,4-bis(oxidanyl)benzoic acid
    • CHEMBL328910
    • BDBM74208
    • CHEBI:42094
    • CHEBI:89942
    • 2,4-hidyroxybenzoic acid form I
    • NSC4740
    • 2,4-Dihydroxybenzoic acid, 97%
    • 2,4Dihydroxybenzenecarboxylic acid
    • HMS3039A13
    • HMS3604D11
    • NSC13564
    • Tox21_202471
    • BBL011673
    • s6293
    • STK299216
    • 2,4-Dihydroxybenzoic acid, >=97%
    • AKOS001434143
    • CS-W013291
    • DB02839
    • FD34721
    • HY-W012575
    • CAS-89-86-1
    • NCGC00090922-01
    • NCGC00090922-02
    • NCGC00260020-01
    • AC-10404
    • DS-18507
    • PD007595
    • SY014322
    • D0568
    • NS00014677
    • EN300-06121
    • D78167
    • AE-562/41921969
    • L001160
    • Q209206
    • F1995-0247
    • Z104502292
    • 2,4-Dihydroxybenzoic acid, Vetec(TM) reagent grade, 97%
    • 201-946-9

  • Applications

    Beta-Resorcylic Acid (CAS 89-86-1) is primarily used as a chemical intermediate and building block in the synthesis of polyphenolic derivatives; it serves as a precursor for dye and pigment intermediates used in coatings and inks, and for polymer and resin formulations as a crosslinker or specialty additive. It is also employed in fragrance chemistry as a precursor to phenolic aroma compounds, and may be used as a starting material in pharmaceutical and agrochemical syntheses for aromatic compounds. Applications are typically pursued within local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.88
    methanol 87.94
    isopropanol 42.52
    water 3.26
    ethyl acetate 27.52
    n-propanol 41.89
    acetone 52.49
    n-butanol 31.85
    acetonitrile 29.12
    DMF 163.37
    toluene 0.62
    isobutanol 23.2
    1,4-dioxane 89.31
    methyl acetate 29.73
    THF 167.26
    2-butanone 29.92
    n-pentanol 25.38
    sec-butanol 23.5
    n-hexane 0.31
    ethylene glycol 77.6
    NMP 153.94
    cyclohexane 0.11
    DMSO 214.87
    n-butyl acetate 15.97
    n-octanol 47.52
    chloroform 0.27
    n-propyl acetate 19.0
    acetic acid 66.89
    dichloromethane 0.88
    cyclohexanone 20.54
    propylene glycol 78.3
    isopropyl acetate 19.62
    DMAc 108.01
    2-ethoxyethanol 129.55
    isopentanol 25.22
    n-heptane 0.97
    ethyl formate 28.04
    1,2-dichloroethane 2.26
    n-hexanol 23.16
    2-methoxyethanol 207.46
    isobutyl acetate 7.33
    tetrachloromethane 0.12
    n-pentyl acetate 26.85
    transcutol 338.02
    n-heptanol 29.73
    ethylbenzene 0.7
    MIBK 18.42
    2-propoxyethanol 120.72
    tert-butanol 43.74
    MTBE 13.73
    2-butoxyethanol 89.26
    propionic acid 45.41
    o-xylene 1.06
    formic acid 81.28
    diethyl ether 16.82
    m-xylene 1.27
    p-xylene 0.76
    chlorobenzene 0.63
    dimethyl carbonate 34.04
    n-octane 0.6
    formamide 112.87
    cyclopentanone 62.0
    2-pentanone 27.27
    anisole 7.09
    cyclopentyl methyl ether 24.2
    gamma-butyrolactone 119.56
    1-methoxy-2-propanol 176.67
    pyridine 8.2
    3-pentanone 14.02
    furfural 59.52
    n-dodecane 1.1
    diethylene glycol 140.93
    diisopropyl ether 4.93
    tert-amyl alcohol 26.13
    acetylacetone 47.86
    n-hexadecane 1.2
    acetophenone 10.49
    methyl propionate 35.76
    isopentyl acetate 13.0
    trichloroethylene 1.92
    n-nonanol 41.97
    cyclohexanol 10.74
    benzyl alcohol 10.4
    2-ethylhexanol 12.44
    isooctanol 22.21
    dipropyl ether 16.54
    1,2-dichlorobenzene 0.94
    ethyl lactate 32.72
    propylene carbonate 42.93
    n-methylformamide 107.07
    2-pentanol 19.17
    n-pentane 0.4
    1-propoxy-2-propanol 83.01
    1-methoxy-2-propyl acetate 43.97
    2-(2-methoxypropoxy) propanol 96.27
    mesitylene 1.24
    ε-caprolactone 36.53
    p-cymene 1.9
    epichlorohydrin 76.85
    1,1,1-trichloroethane 0.75
    2-aminoethanol 102.68
    morpholine-4-carbaldehyde 161.12
    sulfolane 136.68
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 47.86
    n-hexyl acetate 48.07
    isooctane 0.48
    2-(2-butoxyethoxy)ethanol 163.06
    sec-butyl acetate 9.65
    tert-butyl acetate 24.28
    decalin 0.27
    glycerin 145.9
    diglyme 186.33
    acrylic acid 47.81
    isopropyl myristate 20.42
    n-butyric acid 38.04
    acetyl acetate 17.11
    di(2-ethylhexyl) phthalate 19.46
    ethyl propionate 19.0
    nitromethane 137.27
    1,2-diethoxyethane 50.15
    benzonitrile 5.73
    trioctyl phosphate 21.75
    1-bromopropane 1.17
    gamma-valerolactone 126.1
    n-decanol 31.35
    triethyl phosphate 11.41
    4-methyl-2-pentanol 13.08
    propionitrile 15.45
    vinylene carbonate 24.64
    1,1,2-trichlorotrifluoroethane 55.14
    DMS 24.98
    cumene 0.99
    2-octanol 20.66
    2-hexanone 17.27
    octyl acetate 32.12
    limonene 3.05
    1,2-dimethoxyethane 109.27
    ethyl orthosilicate 10.22
    tributyl phosphate 18.41
    diacetone alcohol 62.3
    N,N-dimethylaniline 6.9
    acrylonitrile 22.65
    aniline 3.79
    1,3-propanediol 100.61
    bromobenzene 0.32
    dibromomethane 0.4
    1,1,2,2-tetrachloroethane 2.07
    2-methyl-cyclohexyl acetate 13.02
    tetrabutyl urea 31.51
    diisobutyl methanol 9.49
    2-phenylethanol 12.35
    styrene 0.65
    dioctyl adipate 33.49
    dimethyl sulfate 54.88
    ethyl butyrate 16.9
    methyl lactate 67.23
    butyl lactate 39.79
    diethyl carbonate 11.18
    propanediol butyl ether 120.38
    triethyl orthoformate 16.01
    p-tert-butyltoluene 2.13
    methyl 4-tert-butylbenzoate 42.41
    morpholine 105.53
    tert-butylamine 14.32
    n-dodecanol 22.03
    dimethoxymethane 134.94
    ethylene carbonate 23.36
    cyrene 83.01
    2-ethoxyethyl acetate 51.48
    2-ethylhexyl acetate 8.49
    1,2,4-trichlorobenzene 1.59
    4-methylpyridine 7.78
    dibutyl ether 20.52
    2,6-dimethyl-4-heptanol 9.49
    DEF 44.91
    dimethyl isosorbide 123.69
    tetrachloroethylene 1.11
    eugenol 46.84
    triacetin 52.73
    span 80 75.09
    1,4-butanediol 46.1
    1,1-dichloroethane 0.99
    2-methyl-1-pentanol 16.28
    methyl formate 81.93
    2-methyl-1-butanol 20.33
    n-decane 1.62
    butyronitrile 13.98
    3,7-dimethyl-1-octanol 26.38
    1-chlorooctane 6.68
    1-chlorotetradecane 3.49
    n-nonane 1.28
    undecane 1.33
    tert-butylcyclohexane 0.36
    cyclooctane 0.15
    cyclopentanol 27.85
    tetrahydropyran 20.31
    tert-amyl methyl ether 12.37
    2,5,8-trioxanonane 161.41
    1-hexene 1.13
    2-isopropoxyethanol 71.9
    2,2,2-trifluoroethanol 34.87
    methyl butyrate 20.05

    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