2,4-Dihydroxybenzaldehyde

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  • Identifiers

    CAS number
    95-01-2

    Molecular formula
    C7H6O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 69.99%
    Sweet 44.6%
    Burnt 43.67%
    Medicinal 43.6%
    Bitter 42.42%
    Nutty 42.0%
    Almond 39.94%
    Vanilla 37.86%
    Odorless 36.39%
    Spicy 35.07%

     

    Flavor
    Bitter 64.95%
    Phenolic 49.07%
    Nutty 36.53%
    Mild 31.92%
    Almond 29.88%
    Medical 29.17%
    Odorless 26.0%
    Almond shell 23.07%
    Curry 22.47%
    Urine 22.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.84 (weak base)

    Molecular weight
    138.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    280°C

    Flash point

    • 148.08 ˚C est.

  • Synonyms

    • 2,4-DIHYDROXYBENZALDEHYDE
    • 95-01-2
    • beta-Resorcylaldehyde
    • Benzaldehyde, 2,4-dihydroxy-
    • b-resorcylaldehyde
    • .beta.-Resorcylaldehyde
    • beta-Rosorcaldehyde
    • 2,4-Dihydroxybenzaldehyd
    • b-Resorcaldehyde
    • UNII-772JOF6LZS
    • b-Resorcinaldehyde
    • EINECS 202-383-1
    • 772JOF6LZS
    • BRN 0878548
    • b-Resorcylic aldehyde
    • CHEBI:50198
    • AI3-24367
    • NSC-8690
    • DTXSID8021806
    • 4-08-00-01753 (Beilstein Handbook Reference)
    • DIHYDROXYBENZALDEHYDE, 2,4-
    • .BETA.-RESORCYLALDEHYDE [MI]
    • RefChem:82453
    • DTXCID101806
    • 202-383-1
    • InChI=1/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10
    • IUNJCFABHJZSKB-UHFFFAOYSA-N
    • 4-Hydroxysalicylaldehyde
    • 4-Formylresorcinol
    • beta-Resorcaldehyde
    • beta-Resorcinaldehyde
    • beta-Resorcylic aldehyde
    • 2,4-Dihydroxybenzenecarbonal
    • MFCD00011686
    • Salicylaldehyde, 4-hydroxy-
    • 4-Hydroxysalicyladehyde
    • NSC 8690
    • .beta.-Resorcaldehyde
    • .beta.-Resorcinaldehyde
    • .beta.-Resorcylic aldehyde
    • 2,4-dihydroxy-benzaldehyde
    • CHEMBL243587
    • NSC8690
    • 2,4-Dihydroxybezaldehyde
    • 2,4-dihydroxy benzaldehyde
    • Resorcinal
    • A-Resorcylaldehyde
    • Beta-resorcyl aldehyde
    • 2,4dihydroxybenzaldehyde
    • 24-Dihydroxybenzaldehyde
    • 2,4-Dihyroxybenzaldehyde
    • 2,4 dihydroxybenzaldehyde
    • 2,4-dihydoxy-benzaldehyde
    • 2,4-dihydroxylbenzaldehyde
    • 2,4,-dihydroxybenzaldehyde
    • 2,4-dihydroxyl benzaldehyde
    • SCHEMBL93513
    • MLS001076174
    • SCHEMBL910590
    • 2,4-bis(oxidanyl)benzaldehyde
    • orb1296907
    • SCHEMBL30335110
    • 2,4-Dihydroxybenzaldehyde, 98%
    • HMS2270K22
    • BB_NC-02242
    • STR01512
    • BBL012171
    • BDBM50140239
    • SBB040226
    • STK299744
    • AKOS000118990
    • CS-W007539
    • EBC-612987
    • FD22100
    • HY-W007539
    • NCGC00247446-01
    • AC-24172
    • PD158252
    • SMR000639137
    • SY007063
    • DB-027606
    • D0564
    • NS00040433
    • ST45061604
    • EN300-21460
    • 95D012
    • F11148
    • A845149
    • AP-065/40195541
    • F227645
    • Q27121977
    • F1995-0226
    • Z104497974
    • 2,4-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 98%
    • 95-01-2

  • Applications

    2,4-Dihydroxybenzaldehyde (CAS 95-01-2) is primarily used as an intermediate in organic synthesis to access catechol-type derivatives. In industry, it is a building block for dyes and pigments, fragrance and flavor ingredient synthesis, and pharmaceutical or agrochemical intermediates; it can also be employed in polymer and coating applications as a functional monomer or precursor for specialty resins, and may appear in cosmetic and personal care chemistry as a synthetic intermediate for aroma-related or antioxidant-related compounds, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 101.39
    methanol 144.21
    isopropanol 91.18
    water 4.86
    ethyl acetate 65.35
    n-propanol 82.2
    acetone 152.61
    n-butanol 62.57
    acetonitrile 79.03
    DMF 266.02
    toluene 1.07
    isobutanol 54.99
    1,4-dioxane 111.18
    methyl acetate 90.11
    THF 371.69
    2-butanone 96.18
    n-pentanol 51.48
    sec-butanol 59.56
    n-hexane 0.45
    ethylene glycol 92.11
    NMP 203.38
    cyclohexane 0.19
    DMSO 453.16
    n-butyl acetate 30.57
    n-octanol 31.47
    chloroform 1.24
    n-propyl acetate 50.63
    acetic acid 122.35
    dichloromethane 1.83
    cyclohexanone 54.44
    propylene glycol 102.6
    isopropyl acetate 47.75
    DMAc 188.21
    2-ethoxyethanol 139.97
    isopentanol 59.55
    n-heptane 1.25
    ethyl formate 48.29
    1,2-dichloroethane 4.65
    n-hexanol 42.67
    2-methoxyethanol 231.95
    isobutyl acetate 28.36
    tetrachloromethane 1.01
    n-pentyl acetate 27.08
    transcutol 306.23
    n-heptanol 29.35
    ethylbenzene 1.49
    MIBK 65.24
    2-propoxyethanol 118.58
    tert-butanol 132.54
    MTBE 43.7
    2-butoxyethanol 71.84
    propionic acid 94.29
    o-xylene 2.32
    formic acid 109.14
    diethyl ether 33.71
    m-xylene 2.91
    p-xylene 2.28
    chlorobenzene 1.93
    dimethyl carbonate 56.99
    n-octane 0.61
    formamide 182.48
    cyclopentanone 158.98
    2-pentanone 79.48
    anisole 19.5
    cyclopentyl methyl ether 51.84
    gamma-butyrolactone 215.17
    1-methoxy-2-propanol 187.41
    pyridine 14.68
    3-pentanone 39.83
    furfural 90.76
    n-dodecane 1.02
    diethylene glycol 143.04
    diisopropyl ether 13.22
    tert-amyl alcohol 73.18
    acetylacetone 103.98
    n-hexadecane 1.09
    acetophenone 25.27
    methyl propionate 69.85
    isopentyl acetate 31.06
    trichloroethylene 7.09
    n-nonanol 28.34
    cyclohexanol 25.13
    benzyl alcohol 21.24
    2-ethylhexanol 22.27
    isooctanol 25.1
    dipropyl ether 24.05
    1,2-dichlorobenzene 3.2
    ethyl lactate 50.11
    propylene carbonate 83.29
    n-methylformamide 150.64
    2-pentanol 46.2
    n-pentane 0.46
    1-propoxy-2-propanol 80.85
    1-methoxy-2-propyl acetate 62.35
    2-(2-methoxypropoxy) propanol 84.45
    mesitylene 3.11
    ε-caprolactone 63.55
    p-cymene 4.59
    epichlorohydrin 139.06
    1,1,1-trichloroethane 5.17
    2-aminoethanol 112.03
    morpholine-4-carbaldehyde 157.93
    sulfolane 237.8
    2,2,4-trimethylpentane 1.1
    2-methyltetrahydrofuran 110.73
    n-hexyl acetate 44.5
    isooctane 1.29
    2-(2-butoxyethoxy)ethanol 108.03
    sec-butyl acetate 33.7
    tert-butyl acetate 64.17
    decalin 0.61
    glycerin 163.17
    diglyme 170.42
    acrylic acid 87.47
    isopropyl myristate 20.03
    n-butyric acid 72.84
    acetyl acetate 42.1
    di(2-ethylhexyl) phthalate 20.65
    ethyl propionate 44.39
    nitromethane 280.54
    1,2-diethoxyethane 49.33
    benzonitrile 14.28
    trioctyl phosphate 19.67
    1-bromopropane 2.37
    gamma-valerolactone 165.06
    n-decanol 21.58
    triethyl phosphate 22.56
    4-methyl-2-pentanol 37.88
    propionitrile 47.44
    vinylene carbonate 46.32
    1,1,2-trichlorotrifluoroethane 95.92
    DMS 36.84
    cumene 2.57
    2-octanol 19.61
    2-hexanone 53.84
    octyl acetate 27.77
    limonene 6.95
    1,2-dimethoxyethane 148.0
    ethyl orthosilicate 19.27
    tributyl phosphate 19.98
    diacetone alcohol 127.67
    N,N-dimethylaniline 15.22
    acrylonitrile 57.66
    aniline 8.28
    1,3-propanediol 127.45
    bromobenzene 0.97
    dibromomethane 0.89
    1,1,2,2-tetrachloroethane 8.05
    2-methyl-cyclohexyl acetate 27.52
    tetrabutyl urea 28.99
    diisobutyl methanol 18.27
    2-phenylethanol 24.21
    styrene 1.37
    dioctyl adipate 32.77
    dimethyl sulfate 103.71
    ethyl butyrate 29.88
    methyl lactate 86.6
    butyl lactate 34.25
    diethyl carbonate 24.38
    propanediol butyl ether 82.19
    triethyl orthoformate 26.34
    p-tert-butyltoluene 5.2
    methyl 4-tert-butylbenzoate 47.27
    morpholine 135.33
    tert-butylamine 38.89
    n-dodecanol 15.7
    dimethoxymethane 148.93
    ethylene carbonate 43.2
    cyrene 85.51
    2-ethoxyethyl acetate 46.34
    2-ethylhexyl acetate 20.25
    1,2,4-trichlorobenzene 5.53
    4-methylpyridine 14.25
    dibutyl ether 19.81
    2,6-dimethyl-4-heptanol 18.27
    DEF 68.46
    dimethyl isosorbide 117.04
    tetrachloroethylene 4.41
    eugenol 49.09
    triacetin 54.1
    span 80 58.66
    1,4-butanediol 62.54
    1,1-dichloroethane 3.64
    2-methyl-1-pentanol 40.53
    methyl formate 115.26
    2-methyl-1-butanol 45.83
    n-decane 1.44
    butyronitrile 35.45
    3,7-dimethyl-1-octanol 26.56
    1-chlorooctane 7.46
    1-chlorotetradecane 3.53
    n-nonane 1.17
    undecane 1.22
    tert-butylcyclohexane 0.97
    cyclooctane 0.22
    cyclopentanol 62.76
    tetrahydropyran 45.75
    tert-amyl methyl ether 31.72
    2,5,8-trioxanonane 138.58
    1-hexene 2.27
    2-isopropoxyethanol 95.1
    2,2,2-trifluoroethanol 74.5
    methyl butyrate 52.22

    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