3,5-Dihydroxy-4-Methoxybenzaldehyde

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  • Identifiers

    CAS number
    29865-85-8

    Molecular formula
    C8H8O4

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 49.78%
    Vanilla 45.21%
    Odorless 44.58%
    Spicy 35.49%
    Burnt 33.6%
    Smoky 29.87%
    Balsamic 29.05%
    Milky 27.86%
    Sweet 27.35%
    Creamy 27.05%

     

    Flavor
    Bitter 48.36%
    Sweet 36.07%
    Phenolic 33.52%
    Vanilla 32.16%
    Woody 31.69%
    Creamy 28.93%
    Mild 26.16%
    Spice 24.95%
    Smoky 23.65%
    Eugenol 23.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    9.32 (weak base)

    Molecular weight
    168.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 156.25 ˚C est.

  • Synonyms

    • 3,5-dihydroxy-4-methoxybenzaldehyde
    • 29865-85-8
    • RefChem:91533
    • CHEMBL89737
    • SCHEMBL5155052
    • SCHEMBL6305673
    • 3,5-Dihydroxy-4-methoxy-benzaldehyde
    • DB-128149
    • CS-0245708
    • EN300-309534
    • Z1511745745
    • 29865-85-8

  • Applications

    3,5-Dihydroxy-4-Methoxybenzaldehyde, CAS 29865-85-8, is viewed as an aromatic building block in the synthesis of a range of aromatic compounds for multiple industries; in practice it is used as a fragrance ingredient and cosmetic raw material in perfumery and personal care, may serve as a precursor for colorants used in coatings and inks, as a starting material for the synthesis of pharmaceutical and agrochemical intermediates, and may be considered for aroma/flavor applications in food formulations subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 108.9
    methanol 177.19
    isopropanol 53.19
    water 1.85
    ethyl acetate 71.75
    n-propanol 67.87
    acetone 151.55
    n-butanol 45.42
    acetonitrile 76.6
    DMF 426.23
    toluene 5.5
    isobutanol 30.74
    1,4-dioxane 123.44
    methyl acetate 99.37
    THF 374.26
    2-butanone 82.31
    n-pentanol 37.62
    sec-butanol 42.17
    n-hexane 1.38
    ethylene glycol 110.63
    NMP 241.09
    cyclohexane 1.86
    DMSO 988.94
    n-butyl acetate 47.71
    n-octanol 20.21
    chloroform 11.94
    n-propyl acetate 63.3
    acetic acid 163.84
    dichloromethane 29.53
    cyclohexanone 65.95
    propylene glycol 53.63
    isopropyl acetate 37.15
    DMAc 208.53
    2-ethoxyethanol 193.61
    isopentanol 37.07
    n-heptane 3.63
    ethyl formate 73.18
    1,2-dichloroethane 39.48
    n-hexanol 35.59
    2-methoxyethanol 322.39
    isobutyl acetate 22.1
    tetrachloromethane 3.34
    n-pentyl acetate 24.19
    transcutol 298.09
    n-heptanol 19.07
    ethylbenzene 6.07
    MIBK 45.4
    2-propoxyethanol 127.35
    tert-butanol 86.2
    MTBE 42.04
    2-butoxyethanol 54.78
    propionic acid 68.16
    o-xylene 7.18
    formic acid 268.73
    diethyl ether 60.37
    m-xylene 6.8
    p-xylene 6.18
    chlorobenzene 10.04
    dimethyl carbonate 67.21
    n-octane 1.23
    formamide 529.86
    cyclopentanone 140.38
    2-pentanone 71.78
    anisole 41.9
    cyclopentyl methyl ether 72.84
    gamma-butyrolactone 233.46
    1-methoxy-2-propanol 188.76
    pyridine 54.54
    3-pentanone 43.89
    furfural 176.07
    n-dodecane 1.08
    diethylene glycol 166.88
    diisopropyl ether 13.41
    tert-amyl alcohol 56.8
    acetylacetone 105.47
    n-hexadecane 1.2
    acetophenone 45.17
    methyl propionate 79.93
    isopentyl acetate 33.6
    trichloroethylene 48.73
    n-nonanol 18.73
    cyclohexanol 29.87
    benzyl alcohol 38.82
    2-ethylhexanol 20.97
    isooctanol 14.83
    dipropyl ether 34.1
    1,2-dichlorobenzene 12.87
    ethyl lactate 52.25
    propylene carbonate 81.9
    n-methylformamide 294.14
    2-pentanol 30.49
    n-pentane 2.03
    1-propoxy-2-propanol 78.96
    1-methoxy-2-propyl acetate 71.93
    2-(2-methoxypropoxy) propanol 71.88
    mesitylene 5.57
    ε-caprolactone 69.08
    p-cymene 8.1
    epichlorohydrin 198.44
    1,1,1-trichloroethane 12.71
    2-aminoethanol 113.89
    morpholine-4-carbaldehyde 224.29
    sulfolane 305.07
    2,2,4-trimethylpentane 1.48
    2-methyltetrahydrofuran 121.49
    n-hexyl acetate 34.07
    isooctane 1.25
    2-(2-butoxyethoxy)ethanol 91.1
    sec-butyl acetate 29.66
    tert-butyl acetate 54.33
    decalin 1.6
    glycerin 125.19
    diglyme 198.68
    acrylic acid 88.52
    isopropyl myristate 15.0
    n-butyric acid 60.63
    acetyl acetate 41.8
    di(2-ethylhexyl) phthalate 16.02
    ethyl propionate 51.89
    nitromethane 429.22
    1,2-diethoxyethane 68.8
    benzonitrile 29.11
    trioctyl phosphate 13.78
    1-bromopropane 14.4
    gamma-valerolactone 176.53
    n-decanol 14.23
    triethyl phosphate 27.63
    4-methyl-2-pentanol 19.29
    propionitrile 44.02
    vinylene carbonate 65.44
    1,1,2-trichlorotrifluoroethane 135.63
    DMS 43.17
    cumene 5.6
    2-octanol 12.07
    2-hexanone 52.3
    octyl acetate 20.66
    limonene 12.69
    1,2-dimethoxyethane 238.87
    ethyl orthosilicate 23.91
    tributyl phosphate 17.11
    diacetone alcohol 101.51
    N,N-dimethylaniline 30.15
    acrylonitrile 72.39
    aniline 25.19
    1,3-propanediol 127.18
    bromobenzene 6.6
    dibromomethane 15.93
    1,1,2,2-tetrachloroethane 32.88
    2-methyl-cyclohexyl acetate 30.92
    tetrabutyl urea 25.41
    diisobutyl methanol 15.34
    2-phenylethanol 34.33
    styrene 7.62
    dioctyl adipate 27.98
    dimethyl sulfate 129.34
    ethyl butyrate 45.05
    methyl lactate 76.42
    butyl lactate 29.5
    diethyl carbonate 34.71
    propanediol butyl ether 52.95
    triethyl orthoformate 33.85
    p-tert-butyltoluene 8.22
    methyl 4-tert-butylbenzoate 42.84
    morpholine 171.7
    tert-butylamine 33.78
    n-dodecanol 10.65
    dimethoxymethane 259.67
    ethylene carbonate 50.9
    cyrene 76.59
    2-ethoxyethyl acetate 51.43
    2-ethylhexyl acetate 23.83
    1,2,4-trichlorobenzene 16.7
    4-methylpyridine 39.78
    dibutyl ether 21.88
    2,6-dimethyl-4-heptanol 15.34
    DEF 95.11
    dimethyl isosorbide 124.73
    tetrachloroethylene 24.75
    eugenol 47.96
    triacetin 51.38
    span 80 42.34
    1,4-butanediol 51.54
    1,1-dichloroethane 15.47
    2-methyl-1-pentanol 27.46
    methyl formate 237.36
    2-methyl-1-butanol 31.03
    n-decane 1.88
    butyronitrile 36.97
    3,7-dimethyl-1-octanol 19.33
    1-chlorooctane 8.33
    1-chlorotetradecane 3.44
    n-nonane 1.74
    undecane 1.4
    tert-butylcyclohexane 1.61
    cyclooctane 1.04
    cyclopentanol 50.67
    tetrahydropyran 70.94
    tert-amyl methyl ether 37.16
    2,5,8-trioxanonane 136.42
    1-hexene 6.22
    2-isopropoxyethanol 94.64
    2,2,2-trifluoroethanol 81.28
    methyl butyrate 70.47

    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