4-Hydroxy-5-methoxy-1,3-benzenedicarboxaldehyde

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  • Identifiers

    CAS number
    2931-90-0

    Molecular formula
    C9H8O4

    SMILES
    COC1=CC(=CC(=C1O)C=O)C=O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.62%
    Vanilla 63.05%
    Spicy 48.08%
    Caramellic 45.57%
    Creamy 39.05%
    Almond 36.56%
    Phenolic 34.32%
    Burnt 34.28%
    Bitter 33.24%
    Powdery 32.21%

     

    Flavor
    Sweet 59.15%
    Vanilla 46.12%
    Bitter 41.21%
    Woody 38.29%
    Almond 38.22%
    Creamy 36.11%
    Caramel 30.5%
    Powdery 30.01%
    Cinnamon 28.25%
    Spice 24.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.2 (neutral)

    Molecular weight
    180.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point

    • 145.49 ˚C est.

  • Synonyms

    • 4-Hydroxy-5-methoxyisophthalaldehyde
    • 2931-90-0
    • 5-Formylvanillin
    • 1,3-Benzenedicarboxaldehyde, 4-hydroxy-5-methoxy-
    • F38S6MCP4F
    • NSC-41797
    • NSC-43298
    • DTXSID70183556
    • 4-Hydroxy-5-methoxy-1,3-benzenedicarboxaldehyde
    • RefChem:1070785
    • DTXCID10106047
    • 220-901-4
    • 4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde
    • 1,3-Benzenedicarboxaldehyde,4-hydroxy-5-methoxy-
    • ISOPHTHALDEHYDE, 4-HYDROXY-5-METHOXY-
    • MFCD00513563
    • 1, 4-hydroxy-5-methoxy-
    • Dialdehyde vanillique [French]
    • Dialdehyde vanillique
    • EINECS 220-901-4
    • NSC 41797
    • NSC 43298
    • UNII-F38S6MCP4F
    • BRN 1955742
    • 4-Hydroxy-5-methoxyisophthalic dialdehyde
    • Aldehyde hydroxy-4 methoxy-3 isophthalique [French]
    • Aldehyde hydroxy-4 methoxy-3 isophthalique
    • Ferulic Acid Impurity 1
    • Cambridge id 5108051
    • 4-08-00-02803 (Beilstein Handbook Reference)
    • SCHEMBL326755
    • 2,4-diformyl-6-methoxyphenol
    • SCHEMBL6036563
    • YSZC1403
    • SCHEMBL30393705
    • 4-hydroxy-5-methoxyisophtalaldehyde
    • NSC41797
    • NSC43298
    • SBB061647
    • 4-hydroxy-5-methoxy-isophthalaldehyde
    • 4,6-DIFORMYL-2-METHOXYPHENOL
    • AKOS004120658
    • DB-028188
    • CS-0170493
    • NS00028665
    • ST51047652
    • E89474
    • 4-hydroxy-5-methoxy-benzene-1,3-dicarbaldehyde
    • 5-FORMYL-2-HYDROXY-3-METHOXYBENZALDEHYDE
    • ISOPHTHALALDEHYDE, 4-HYDROXY-5-METHOXY-
    • AE-848/30539051
    • Q27277573
    • 2931-90-0

  • Applications

    4-Hydroxy-5-methoxy-1,3-benzenedicarboxaldehyde (CAS 2931-90-0) is primarily used as an intermediate in organic synthesis, serving as a building block for pharmaceutical scaffolds and other chemical syntheses. It is commonly employed as a precursor to dyes and pigments and as a starting material for polymer and coating formulations (resins, paints, adhesives). In the fragrance and flavor sector, it is regarded as a precursor for fragrance ingredients. It can also function as a versatile building block for aromatic aldehydes and heterocyclic structures, supporting broader pharmaceutical and materials applications, subject to regulatory and processing constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.62
    methanol 77.98
    isopropanol 25.65
    water 3.56
    ethyl acetate 70.68
    n-propanol 29.83
    acetone 182.22
    n-butanol 17.85
    acetonitrile 92.32
    DMF 302.72
    toluene 8.75
    isobutanol 15.67
    1,4-dioxane 105.08
    methyl acetate 118.22
    THF 279.6
    2-butanone 89.63
    n-pentanol 18.51
    sec-butanol 20.48
    n-hexane 0.82
    ethylene glycol 85.71
    NMP 233.61
    cyclohexane 1.16
    DMSO 599.12
    n-butyl acetate 33.9
    n-octanol 16.0
    chloroform 38.52
    n-propyl acetate 53.84
    acetic acid 95.2
    dichloromethane 88.54
    cyclohexanone 80.42
    propylene glycol 32.63
    isopropyl acetate 39.93
    DMAc 228.0
    2-ethoxyethanol 103.86
    isopentanol 19.16
    n-heptane 2.32
    ethyl formate 58.98
    1,2-dichloroethane 77.61
    n-hexanol 21.39
    2-methoxyethanol 170.83
    isobutyl acetate 25.47
    tetrachloromethane 7.53
    n-pentyl acetate 22.65
    transcutol 115.71
    n-heptanol 15.39
    ethylbenzene 10.91
    MIBK 39.4
    2-propoxyethanol 73.68
    tert-butanol 54.28
    MTBE 34.05
    2-butoxyethanol 41.9
    propionic acid 55.11
    o-xylene 13.34
    formic acid 124.75
    diethyl ether 30.99
    m-xylene 12.48
    p-xylene 12.88
    chlorobenzene 18.18
    dimethyl carbonate 73.89
    n-octane 1.37
    formamide 295.89
    cyclopentanone 198.21
    2-pentanone 57.01
    anisole 45.63
    cyclopentyl methyl ether 59.04
    gamma-butyrolactone 266.21
    1-methoxy-2-propanol 88.65
    pyridine 61.03
    3-pentanone 46.72
    furfural 170.01
    n-dodecane 1.47
    diethylene glycol 108.01
    diisopropyl ether 10.59
    tert-amyl alcohol 37.98
    acetylacetone 104.84
    n-hexadecane 1.67
    acetophenone 56.4
    methyl propionate 81.11
    isopentyl acetate 30.2
    trichloroethylene 118.89
    n-nonanol 15.11
    cyclohexanol 20.52
    benzyl alcohol 36.91
    2-ethylhexanol 16.49
    isooctanol 13.55
    dipropyl ether 21.17
    1,2-dichlorobenzene 24.59
    ethyl lactate 42.59
    propylene carbonate 85.77
    n-methylformamide 186.23
    2-pentanol 14.01
    n-pentane 0.85
    1-propoxy-2-propanol 45.32
    1-methoxy-2-propyl acetate 53.52
    2-(2-methoxypropoxy) propanol 47.93
    mesitylene 9.61
    ε-caprolactone 73.91
    p-cymene 10.88
    epichlorohydrin 249.45
    1,1,1-trichloroethane 37.28
    2-aminoethanol 63.65
    morpholine-4-carbaldehyde 179.42
    sulfolane 325.17
    2,2,4-trimethylpentane 1.28
    2-methyltetrahydrofuran 105.39
    n-hexyl acetate 30.52
    isooctane 1.03
    2-(2-butoxyethoxy)ethanol 53.25
    sec-butyl acetate 30.75
    tert-butyl acetate 49.68
    decalin 1.96
    glycerin 90.28
    diglyme 115.89
    acrylic acid 65.79
    isopropyl myristate 14.96
    n-butyric acid 39.47
    acetyl acetate 47.26
    di(2-ethylhexyl) phthalate 16.53
    ethyl propionate 47.8
    nitromethane 356.58
    1,2-diethoxyethane 35.75
    benzonitrile 38.65
    trioctyl phosphate 14.06
    1-bromopropane 18.2
    gamma-valerolactone 183.83
    n-decanol 12.19
    triethyl phosphate 26.75
    4-methyl-2-pentanol 12.2
    propionitrile 48.9
    vinylene carbonate 72.75
    1,1,2-trichlorotrifluoroethane 138.37
    DMS 46.22
    cumene 9.53
    2-octanol 11.14
    2-hexanone 46.01
    octyl acetate 19.33
    limonene 14.16
    1,2-dimethoxyethane 134.31
    ethyl orthosilicate 21.82
    tributyl phosphate 15.7
    diacetone alcohol 76.45
    N,N-dimethylaniline 34.8
    acrylonitrile 93.24
    aniline 27.31
    1,3-propanediol 65.24
    bromobenzene 15.18
    dibromomethane 37.44
    1,1,2,2-tetrachloroethane 69.4
    2-methyl-cyclohexyl acetate 30.14
    tetrabutyl urea 24.12
    diisobutyl methanol 12.18
    2-phenylethanol 33.56
    styrene 12.44
    dioctyl adipate 25.21
    dimethyl sulfate 152.52
    ethyl butyrate 34.71
    methyl lactate 64.72
    butyl lactate 22.46
    diethyl carbonate 28.7
    propanediol butyl ether 35.76
    triethyl orthoformate 26.07
    p-tert-butyltoluene 10.51
    methyl 4-tert-butylbenzoate 45.01
    morpholine 113.56
    tert-butylamine 19.28
    n-dodecanol 9.76
    dimethoxymethane 155.78
    ethylene carbonate 56.03
    cyrene 72.24
    2-ethoxyethyl acetate 41.0
    2-ethylhexyl acetate 22.12
    1,2,4-trichlorobenzene 32.73
    4-methylpyridine 50.47
    dibutyl ether 14.52
    2,6-dimethyl-4-heptanol 12.18
    DEF 81.57
    dimethyl isosorbide 90.47
    tetrachloroethylene 47.1
    eugenol 42.41
    triacetin 46.85
    span 80 30.46
    1,4-butanediol 32.49
    1,1-dichloroethane 39.77
    2-methyl-1-pentanol 17.93
    methyl formate 178.15
    2-methyl-1-butanol 16.03
    n-decane 2.24
    butyronitrile 31.23
    3,7-dimethyl-1-octanol 14.91
    1-chlorooctane 9.44
    1-chlorotetradecane 4.46
    n-nonane 1.98
    undecane 1.8
    tert-butylcyclohexane 1.92
    cyclooctane 0.83
    cyclopentanol 39.0
    tetrahydropyran 52.7
    tert-amyl methyl ether 30.03
    2,5,8-trioxanonane 81.72
    1-hexene 4.63
    2-isopropoxyethanol 63.39
    2,2,2-trifluoroethanol 83.29
    methyl butyrate 60.23

    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