2,4,6-Trihydroxybenzaldehyde

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  • Identifiers

    CAS number
    487-70-7

    Molecular formula
    C7H6O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 62.35%
    Phenolic 53.67%
    Burnt 33.91%
    Medicinal 28.13%
    Bitter 27.2%
    Nutty 26.18%
    Spicy 23.2%
    Smoky 22.31%
    Sharp 19.34%
    Musty 19.0%

     

    Flavor
    Bitter 70.2%
    Phenolic 37.13%
    Odorless 32.98%
    Mild 31.64%
    Nutty 29.79%
    Nitrile 21.9%
    Flat 21.66%
    Formyl 21.49%
    Almond shell 21.38%
    Bread crust 21.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.91 (weak base)

    Molecular weight
    154.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 176.38 ˚C est.

  • Synonyms

    • 2,4,6-Trihydroxybenzaldehyde
    • 487-70-7
    • Phloroglucinaldehyde
    • Phloroglucinol aldehyde
    • I70C45KRO9
    • NSC-38610
    • WLH-113
    • RefChem:82124
    • 207-663-7
    • Benzaldehyde, 2,4,6-trihydroxy-
    • Formylphloroglucinol
    • MFCD00003329
    • Phloroglucinolcarboxaldehyde
    • Formylphloroglucinal
    • NSC 38610
    • BRN 2254429
    • EINECS 207-663-7
    • NSC38610
    • UNII-I70C45KRO9
    • Benzaldehyde,4,6-trihydroxy-
    • SCHEMBL307321
    • 2,4,6-trihydroxy-benzaldehyde
    • orb1297513
    • SCHEMBL7158339
    • CHEMBL2403487
    • DTXSID90197594
    • CHEBI:189728
    • EBC-03978
    • AKOS015899852
    • CS-W005130
    • FT42976
    • GS-3678
    • HY-W005130
    • 2,4,6-Trihydroxybenzaldehyde, >=97%
    • ST095214
    • SY047039
    • DB-019833
    • NS00031824
    • T1744
    • EN300-177718
    • 2,4,6-Trihydroxybenzaldehyde; Phloroglucinaldehyde
    • 487T707
    • F209145
    • Z1255485214
    • InChI=1/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11
    • 487-70-7

  • Applications

    2,4,6-Trihydroxybenzaldehyde (CAS 487-70-7) is primarily used as an aromatic intermediate in chemical synthesis. In industry it serves as a building block for fragrance and cosmetic ingredient development, enabling the synthesis of phenolic aroma compounds. It also acts as a precursor for specialty polymers and coatings, where the tri-hydroxy functionality can participate in crosslinking or further functionalization. Additionally, it is used as an intermediate in pharmaceutical and agrochemical R&D for the construction of heterocyclic rings and other complex molecules. The compound is typically used under controlled formulations and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.43
    methanol 150.13
    isopropanol 86.98
    water 4.97
    ethyl acetate 71.11
    n-propanol 76.7
    acetone 169.2
    n-butanol 62.09
    acetonitrile 88.36
    DMF 342.88
    toluene 1.15
    isobutanol 51.66
    1,4-dioxane 71.84
    methyl acetate 84.77
    THF 465.85
    2-butanone 89.03
    n-pentanol 51.58
    sec-butanol 52.92
    n-hexane 0.63
    ethylene glycol 122.84
    NMP 227.24
    cyclohexane 0.17
    DMSO 834.54
    n-butyl acetate 33.54
    n-octanol 26.24
    chloroform 1.17
    n-propyl acetate 56.66
    acetic acid 116.62
    dichloromethane 1.84
    cyclohexanone 49.17
    propylene glycol 147.76
    isopropyl acetate 56.03
    DMAc 232.72
    2-ethoxyethanol 179.97
    isopentanol 53.99
    n-heptane 1.35
    ethyl formate 63.57
    1,2-dichloroethane 5.0
    n-hexanol 43.12
    2-methoxyethanol 306.22
    isobutyl acetate 28.91
    tetrachloromethane 0.85
    n-pentyl acetate 25.67
    transcutol 261.28
    n-heptanol 23.59
    ethylbenzene 1.17
    MIBK 70.02
    2-propoxyethanol 161.7
    tert-butanol 105.77
    MTBE 31.08
    2-butoxyethanol 70.06
    propionic acid 84.62
    o-xylene 1.67
    formic acid 111.66
    diethyl ether 30.12
    m-xylene 2.39
    p-xylene 1.59
    chlorobenzene 1.48
    dimethyl carbonate 82.58
    n-octane 0.55
    formamide 169.15
    cyclopentanone 181.51
    2-pentanone 94.61
    anisole 13.15
    cyclopentyl methyl ether 57.33
    gamma-butyrolactone 256.18
    1-methoxy-2-propanol 299.67
    pyridine 10.83
    3-pentanone 42.51
    furfural 101.1
    n-dodecane 0.83
    diethylene glycol 210.94
    diisopropyl ether 12.23
    tert-amyl alcohol 57.55
    acetylacetone 139.44
    n-hexadecane 0.89
    acetophenone 19.7
    methyl propionate 85.26
    isopentyl acetate 28.65
    trichloroethylene 5.66
    n-nonanol 23.93
    cyclohexanol 21.04
    benzyl alcohol 17.72
    2-ethylhexanol 19.25
    isooctanol 19.54
    dipropyl ether 26.4
    1,2-dichlorobenzene 2.18
    ethyl lactate 73.92
    propylene carbonate 107.38
    n-methylformamide 191.33
    2-pentanol 48.62
    n-pentane 0.7
    1-propoxy-2-propanol 113.41
    1-methoxy-2-propyl acetate 79.21
    2-(2-methoxypropoxy) propanol 89.3
    mesitylene 2.37
    ε-caprolactone 60.84
    p-cymene 3.06
    epichlorohydrin 153.97
    1,1,1-trichloroethane 4.38
    2-aminoethanol 132.5
    morpholine-4-carbaldehyde 177.64
    sulfolane 374.69
    2,2,4-trimethylpentane 0.84
    2-methyltetrahydrofuran 100.59
    n-hexyl acetate 40.38
    isooctane 1.18
    2-(2-butoxyethoxy)ethanol 117.8
    sec-butyl acetate 32.83
    tert-butyl acetate 70.83
    decalin 0.47
    glycerin 229.77
    diglyme 162.36
    acrylic acid 86.58
    isopropyl myristate 18.01
    n-butyric acid 79.27
    acetyl acetate 46.98
    di(2-ethylhexyl) phthalate 18.64
    ethyl propionate 55.02
    nitromethane 336.97
    1,2-diethoxyethane 45.05
    benzonitrile 12.18
    trioctyl phosphate 19.87
    1-bromopropane 3.08
    gamma-valerolactone 191.83
    n-decanol 18.44
    triethyl phosphate 24.23
    4-methyl-2-pentanol 37.68
    propionitrile 47.03
    vinylene carbonate 53.76
    1,1,2-trichlorotrifluoroethane 105.51
    DMS 36.56
    cumene 1.75
    2-octanol 16.31
    2-hexanone 57.82
    octyl acetate 25.13
    limonene 4.96
    1,2-dimethoxyethane 178.16
    ethyl orthosilicate 19.76
    tributyl phosphate 20.97
    diacetone alcohol 153.64
    N,N-dimethylaniline 11.33
    acrylonitrile 62.21
    aniline 6.73
    1,3-propanediol 153.79
    bromobenzene 0.78
    dibromomethane 1.05
    1,1,2,2-tetrachloroethane 6.4
    2-methyl-cyclohexyl acetate 24.87
    tetrabutyl urea 30.1
    diisobutyl methanol 17.6
    2-phenylethanol 19.57
    styrene 1.07
    dioctyl adipate 31.18
    dimethyl sulfate 147.95
    ethyl butyrate 33.92
    methyl lactate 139.65
    butyl lactate 41.12
    diethyl carbonate 25.42
    propanediol butyl ether 89.72
    triethyl orthoformate 27.75
    p-tert-butyltoluene 3.65
    methyl 4-tert-butylbenzoate 43.94
    morpholine 109.93
    tert-butylamine 30.82
    n-dodecanol 13.73
    dimethoxymethane 227.89
    ethylene carbonate 49.98
    cyrene 102.61
    2-ethoxyethyl acetate 45.85
    2-ethylhexyl acetate 18.31
    1,2,4-trichlorobenzene 3.24
    4-methylpyridine 13.05
    dibutyl ether 17.49
    2,6-dimethyl-4-heptanol 17.6
    DEF 78.55
    dimethyl isosorbide 141.09
    tetrachloroethylene 3.25
    eugenol 47.04
    triacetin 51.88
    span 80 58.89
    1,4-butanediol 76.89
    1,1-dichloroethane 4.07
    2-methyl-1-pentanol 34.41
    methyl formate 166.73
    2-methyl-1-butanol 41.25
    n-decane 1.2
    butyronitrile 42.02
    3,7-dimethyl-1-octanol 22.41
    1-chlorooctane 5.58
    1-chlorotetradecane 2.75
    n-nonane 1.01
    undecane 1.0
    tert-butylcyclohexane 0.81
    cyclooctane 0.22
    cyclopentanol 59.49
    tetrahydropyran 31.7
    tert-amyl methyl ether 26.9
    2,5,8-trioxanonane 140.34
    1-hexene 2.68
    2-isopropoxyethanol 109.58
    2,2,2-trifluoroethanol 76.71
    methyl butyrate 63.86

    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