2,5-Dihydroxybenzaldehyde

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  • Identifiers

    CAS number
    1194-98-5

    Molecular formula
    C7H6O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 67.9%
    Vanilla 44.82%
    Burnt 44.41%
    Medicinal 42.93%
    Bitter 42.35%
    Sweet 41.69%
    Spicy 38.26%
    Almond 38.23%
    Odorless 38.21%
    Smoky 33.63%

     

    Flavor
    Bitter 72.97%
    Phenolic 41.58%
    Almond 31.28%
    Mild 30.89%
    Medical 30.57%
    Nutty 27.77%
    Odorless 25.61%
    Almond shell 23.02%
    Curry 22.82%
    Nitrile 21.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    9.3 (weak base)

    Molecular weight
    138.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Melting point expt.

    • 100.00 to 103.00 °C. @ 760.00 mm Hg

    Flash point

    • 154.55 ˚C est.

    Solubility expt.

    • 1.38E+04 mg/L @ 25 °C (exp)

  • Synonyms

    • 2,5-Dihydroxybenzaldehyde
    • 1194-98-5
    • Gentisaldehyde
    • Benzaldehyde, 2,5-dihydroxy-
    • Gentisate aldehyde
    • 0Q83HDS90W
    • CHEBI:28508
    • NSC-72387
    • DTXSID1061601
    • RefChem:82873
    • DTXCID9033503
    • 214-789-6
    • MFCD00003333
    • FORMYLHYDROQUINONE
    • 5-hydroxysalicylaldehyde
    • 2,5-dihydroxy-benzaldehyde
    • CHEMBL243186
    • Gentisinaldehyde
    • UNII-0Q83HDS90W
    • Benzaldehyde, 2,5-dihydroxy-; Gentisaldehyde (6CI,7CI,8CI); 2,5-Dihydroxybenzaldehyde; 5-Hydroxysalicylaldehyde; Formylhydroquinone; NSC 72387
    • EINECS 214-789-6
    • NSC 72387
    • 2,5 dihydroxybenzaldehyde
    • Benzaldehyde,5-dihydroxy-
    • bmse000962
    • 2,5-dihydroxy benzaldehyde
    • 2,5-DHBAOP
    • NCIOpen2_000629
    • SCHEMBL36835
    • SCHEMBL476017
    • orb1297140
    • 2,5-Dihydroxybenzaldehyde, 98%
    • HY-N1673
    • NSC72387
    • DIHYDROXYBENZALDEHYDE, 2,5-
    • BDBM50478478
    • EBC-03158
    • MSK002095
    • SBB052127
    • AKOS000112412
    • FD22101
    • PS-4073
    • AC-12258
    • SY011437
    • DB-020084
    • CS-0017335
    • D0565
    • NS00014656
    • ST51037573
    • EN300-49273
    • C05585
    • H11349
    • 194D985
    • F318713
    • Q27103744
    • Z586251264
    • 2,5-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 98%
    • 4991335E-F710-4A4F-927E-62D82076133E
    • InChI=1/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10
    • 1194-98-5

  • Applications

    2,5-Dihydroxybenzaldehyde is used as a synthetic building block across several industries; in fragrance and flavor it serves as an intermediate to prepare phenolic scent compounds and dye precursors, and in cosmetics and personal care it is used as a fragrance ingredient in formulations; in polymers and coatings it functions as a starting material for the synthesis of polyphenolic resins and specialty polymers and can participate in crosslinking reactions via its aldehyde and catechol-like functionalities; in pharmaceutical and fine chemical sectors it is evaluated as an intermediate for the preparation of drug candidates and other aromatic scaffolds; and in research and catalysis it may be used for ligand design and catalyst development due to its dihydroxy functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 92.49
    methanol 157.15
    isopropanol 66.34
    water 14.96
    ethyl acetate 44.88
    n-propanol 67.43
    acetone 108.29
    n-butanol 56.34
    acetonitrile 33.69
    DMF 406.04
    toluene 2.43
    isobutanol 42.09
    1,4-dioxane 103.52
    methyl acetate 70.26
    THF 685.66
    2-butanone 69.23
    n-pentanol 50.51
    sec-butanol 48.57
    n-hexane 0.84
    ethylene glycol 99.42
    NMP 97.89
    cyclohexane 0.29
    DMSO 490.78
    n-butyl acetate 37.23
    n-octanol 31.77
    chloroform 12.51
    n-propyl acetate 49.25
    acetic acid 41.21
    dichloromethane 13.14
    cyclohexanone 44.13
    propylene glycol 40.11
    isopropyl acetate 35.31
    DMAc 320.83
    2-ethoxyethanol 177.96
    isopentanol 50.81
    n-heptane 1.95
    ethyl formate 54.96
    1,2-dichloroethane 19.25
    n-hexanol 58.43
    2-methoxyethanol 248.48
    isobutyl acetate 23.66
    tetrachloromethane 9.23
    n-pentyl acetate 23.41
    transcutol 97.53
    n-heptanol 36.85
    ethylbenzene 5.46
    MIBK 48.94
    2-propoxyethanol 156.16
    tert-butanol 119.17
    MTBE 46.2
    2-butoxyethanol 83.9
    propionic acid 34.62
    o-xylene 4.7
    formic acid 87.45
    diethyl ether 23.41
    m-xylene 5.53
    p-xylene 6.6
    chlorobenzene 4.14
    dimethyl carbonate 53.91
    n-octane 1.29
    formamide 158.09
    cyclopentanone 144.75
    2-pentanone 60.28
    anisole 43.01
    cyclopentyl methyl ether 61.6
    gamma-butyrolactone 156.9
    1-methoxy-2-propanol 152.33
    pyridine 19.57
    3-pentanone 27.76
    furfural 87.74
    n-dodecane 1.77
    diethylene glycol 176.08
    diisopropyl ether 10.78
    tert-amyl alcohol 81.11
    acetylacetone 78.51
    n-hexadecane 1.9
    acetophenone 37.64
    methyl propionate 55.06
    isopentyl acetate 32.55
    trichloroethylene 29.83
    n-nonanol 29.13
    cyclohexanol 20.86
    benzyl alcohol 32.07
    2-ethylhexanol 30.48
    isooctanol 28.41
    dipropyl ether 28.65
    1,2-dichlorobenzene 8.41
    ethyl lactate 38.75
    propylene carbonate 47.54
    n-methylformamide 175.36
    2-pentanol 32.9
    n-pentane 0.51
    1-propoxy-2-propanol 83.36
    1-methoxy-2-propyl acetate 55.09
    2-(2-methoxypropoxy) propanol 62.34
    mesitylene 5.45
    ε-caprolactone 43.91
    p-cymene 8.84
    epichlorohydrin 184.5
    1,1,1-trichloroethane 18.27
    2-aminoethanol 110.56
    morpholine-4-carbaldehyde 152.69
    sulfolane 169.03
    2,2,4-trimethylpentane 1.06
    2-methyltetrahydrofuran 116.02
    n-hexyl acetate 31.39
    isooctane 1.37
    2-(2-butoxyethoxy)ethanol 80.13
    sec-butyl acetate 28.73
    tert-butyl acetate 51.04
    decalin 1.1
    glycerin 101.52
    diglyme 155.35
    acrylic acid 32.47
    isopropyl myristate 17.25
    n-butyric acid 42.04
    acetyl acetate 24.88
    di(2-ethylhexyl) phthalate 15.71
    ethyl propionate 44.73
    nitromethane 150.68
    1,2-diethoxyethane 35.4
    benzonitrile 19.72
    trioctyl phosphate 16.68
    1-bromopropane 6.76
    gamma-valerolactone 128.17
    n-decanol 23.24
    triethyl phosphate 23.79
    4-methyl-2-pentanol 27.42
    propionitrile 34.26
    vinylene carbonate 36.81
    1,1,2-trichlorotrifluoroethane 102.56
    DMS 25.27
    cumene 7.1
    2-octanol 22.9
    2-hexanone 54.06
    octyl acetate 22.54
    limonene 10.01
    1,2-dimethoxyethane 240.09
    ethyl orthosilicate 21.92
    tributyl phosphate 15.82
    diacetone alcohol 97.35
    N,N-dimethylaniline 33.38
    acrylonitrile 48.18
    aniline 9.85
    1,3-propanediol 120.28
    bromobenzene 3.01
    dibromomethane 5.85
    1,1,2,2-tetrachloroethane 30.15
    2-methyl-cyclohexyl acetate 25.36
    tetrabutyl urea 25.88
    diisobutyl methanol 21.53
    2-phenylethanol 39.57
    styrene 4.68
    dioctyl adipate 22.2
    dimethyl sulfate 101.55
    ethyl butyrate 35.43
    methyl lactate 56.01
    butyl lactate 24.74
    diethyl carbonate 24.84
    propanediol butyl ether 53.74
    triethyl orthoformate 24.68
    p-tert-butyltoluene 9.63
    methyl 4-tert-butylbenzoate 42.37
    morpholine 122.3
    tert-butylamine 45.17
    n-dodecanol 18.22
    dimethoxymethane 226.55
    ethylene carbonate 31.4
    cyrene 65.22
    2-ethoxyethyl acetate 31.27
    2-ethylhexyl acetate 22.9
    1,2,4-trichlorobenzene 9.71
    4-methylpyridine 22.19
    dibutyl ether 19.19
    2,6-dimethyl-4-heptanol 21.53
    DEF 83.02
    dimethyl isosorbide 93.97
    tetrachloroethylene 23.38
    eugenol 48.8
    triacetin 26.0
    span 80 37.82
    1,4-butanediol 70.63
    1,1-dichloroethane 12.55
    2-methyl-1-pentanol 40.97
    methyl formate 136.08
    2-methyl-1-butanol 40.68
    n-decane 2.43
    butyronitrile 35.05
    3,7-dimethyl-1-octanol 26.73
    1-chlorooctane 11.5
    1-chlorotetradecane 5.42
    n-nonane 1.98
    undecane 2.03
    tert-butylcyclohexane 1.89
    cyclooctane 0.32
    cyclopentanol 48.71
    tetrahydropyran 41.21
    tert-amyl methyl ether 34.96
    2,5,8-trioxanonane 116.14
    1-hexene 4.55
    2-isopropoxyethanol 105.71
    2,2,2-trifluoroethanol 51.64
    methyl butyrate 62.85

    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