3,4-Dihydroxy-5-methoxybenzaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3934-87-0

    Molecular formula
    C8H8O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 53.98%
    Phenolic 53.05%
    Odorless 41.73%
    Spicy 39.21%
    Burnt 37.0%
    Balsamic 34.83%
    Smoky 33.99%
    Sweet 32.18%
    Caramellic 30.6%
    Milky 29.97%

     

    Flavor
    Sweet 57.76%
    Bitter 48.57%
    Vanilla 47.37%
    Woody 37.95%
    Creamy 36.98%
    Phenolic 34.46%
    Powdery 30.77%
    Caramel 29.68%
    Smoky 29.37%
    Almond 28.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    9.1 (weak base)

    Molecular weight
    168.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    385°C

    Flash point

    • 147.0 ˚C est.

  • Synonyms

    • 3,4-Dihydroxy-5-methoxybenzaldehyde
    • 3934-87-0
    • 5-Hydroxyvanillin
    • Benzaldehyde, 3,4-dihydroxy-5-methoxy-
    • 3-Methoxy-4,5-dihydroxybenzaldehyde
    • EINECS 223-513-3
    • NHS89FSM17
    • NSC 16679
    • BRN 1956546
    • 4,5-dihydroxy-3-methoxybenzaldehyde
    • NSC-16679
    • UNII-NHS89FSM17
    • DTXSID30192563
    • 4-08-00-02718 (Beilstein Handbook Reference)
    • RefChem:91138
    • DTXCID70115054
    • InChI=1/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H
    • RRKMWVISRMWBAL-UHFFFAOYSA-N
    • Protocatechualdehyde, 5-methoxy-
    • 5-Methoxyprotocatechualdehyde
    • MFCD00016610
    • 3,4-dihydroxy-5-methoxy-benzaldehyde
    • NSC16679
    • orb1818971
    • SCHEMBL1001955
    • SCHEMBL6302783
    • CHEMBL1982490
    • SCHEMBL31574220
    • BB_SC-05967
    • 3,4,dihydroxy-5-methoxybenzaldehyde
    • 3,4-Dihydroxy-4-methoxybenzaldehyde
    • BBL011124
    • Benzaldehyde,4-dihydroxy-5-methoxy-
    • SBB042846
    • STK802404
    • 3,4-dihydroxy-5-methoxy benzaldehyde
    • AKOS000268864
    • AC-1046
    • EBC-616493
    • FD67425
    • HY-W051164
    • NCI60_001317
    • PD210541
    • PS-11680
    • SY104317
    • 3,4-Dihydroxy-5-methoxybenzaldehyde, 96%
    • CS-0043430
    • NS00030569
    • EN300-09520
    • D72699
    • 934D870
    • AE-562/43346630
    • F222967
    • Z56979310
    • 2-hydroxy-4-(hydroxymethylidene)-6-methoxycyclohexa-2,5-dien-1-one
    • 3934-87-0

  • Applications

    3,4-Dihydroxy-5-methoxybenzaldehyde (CAS 3934-87-0) is a valuable building block in fragrance and flavor applications, serving as a precursor for aroma compounds in perfumery and flavor formulation. In cosmetics and personal care, it may function as a fragrance ingredient and as a precursor for antioxidant additives to improve formulation stability. In industrial manufacturing and polymer chemistry, it can serve as a starting material for the synthesis of polymeric antioxidants and UV-stabilizers, as well as a source of functional linkages for plastic matrices. It is also used as a pharmaceutical intermediate, commonly evaluated for synthesis of medicinally relevant scaffolds. In coatings and inks, it may be used as a precursor to dye/ink intermediates or functional additives for surface formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 94.97
    methanol 126.13
    isopropanol 44.84
    water 5.99
    ethyl acetate 42.6
    n-propanol 53.26
    acetone 122.55
    n-butanol 29.92
    acetonitrile 39.56
    DMF 250.84
    toluene 2.56
    isobutanol 23.78
    1,4-dioxane 85.16
    methyl acetate 76.91
    THF 295.08
    2-butanone 66.45
    n-pentanol 25.43
    sec-butanol 35.72
    n-hexane 0.6
    ethylene glycol 144.87
    NMP 122.84
    cyclohexane 0.75
    DMSO 671.71
    n-butyl acetate 21.41
    n-octanol 18.84
    chloroform 9.79
    n-propyl acetate 33.43
    acetic acid 83.41
    dichloromethane 21.68
    cyclohexanone 48.28
    propylene glycol 56.54
    isopropyl acetate 23.96
    DMAc 176.51
    2-ethoxyethanol 133.64
    isopentanol 26.3
    n-heptane 1.99
    ethyl formate 45.67
    1,2-dichloroethane 26.96
    n-hexanol 26.04
    2-methoxyethanol 225.22
    isobutyl acetate 14.18
    tetrachloromethane 3.54
    n-pentyl acetate 17.3
    transcutol 99.93
    n-heptanol 18.96
    ethylbenzene 4.5
    MIBK 29.01
    2-propoxyethanol 81.95
    tert-butanol 82.95
    MTBE 33.5
    2-butoxyethanol 48.19
    propionic acid 49.07
    o-xylene 5.38
    formic acid 156.01
    diethyl ether 24.53
    m-xylene 5.14
    p-xylene 5.18
    chlorobenzene 5.35
    dimethyl carbonate 46.39
    n-octane 1.26
    formamide 314.39
    cyclopentanone 127.34
    2-pentanone 41.86
    anisole 27.18
    cyclopentyl methyl ether 41.2
    gamma-butyrolactone 172.35
    1-methoxy-2-propanol 112.77
    pyridine 27.94
    3-pentanone 28.02
    furfural 99.25
    n-dodecane 1.3
    diethylene glycol 125.97
    diisopropyl ether 7.51
    tert-amyl alcohol 55.59
    acetylacetone 68.88
    n-hexadecane 1.44
    acetophenone 33.0
    methyl propionate 56.19
    isopentyl acetate 20.06
    trichloroethylene 36.41
    n-nonanol 17.15
    cyclohexanol 20.84
    benzyl alcohol 26.82
    2-ethylhexanol 15.54
    isooctanol 15.55
    dipropyl ether 16.65
    1,2-dichlorobenzene 9.1
    ethyl lactate 36.08
    propylene carbonate 52.37
    n-methylformamide 170.32
    2-pentanol 20.3
    n-pentane 0.68
    1-propoxy-2-propanol 47.4
    1-methoxy-2-propyl acetate 38.44
    2-(2-methoxypropoxy) propanol 45.18
    mesitylene 4.55
    ε-caprolactone 47.46
    p-cymene 6.72
    epichlorohydrin 168.0
    1,1,1-trichloroethane 11.59
    2-aminoethanol 112.86
    morpholine-4-carbaldehyde 128.96
    sulfolane 221.61
    2,2,4-trimethylpentane 1.07
    2-methyltetrahydrofuran 82.85
    n-hexyl acetate 24.26
    isooctane 0.85
    2-(2-butoxyethoxy)ethanol 56.18
    sec-butyl acetate 18.3
    tert-butyl acetate 35.36
    decalin 1.08
    glycerin 132.35
    diglyme 108.18
    acrylic acid 52.84
    isopropyl myristate 11.81
    n-butyric acid 36.32
    acetyl acetate 24.82
    di(2-ethylhexyl) phthalate 13.01
    ethyl propionate 29.7
    nitromethane 243.31
    1,2-diethoxyethane 26.86
    benzonitrile 18.17
    trioctyl phosphate 12.53
    1-bromopropane 8.06
    gamma-valerolactone 126.64
    n-decanol 13.61
    triethyl phosphate 18.72
    4-methyl-2-pentanol 14.92
    propionitrile 27.96
    vinylene carbonate 40.29
    1,1,2-trichlorotrifluoroethane 106.23
    DMS 25.62
    cumene 4.74
    2-octanol 12.99
    2-hexanone 30.81
    octyl acetate 16.29
    limonene 9.16
    1,2-dimethoxyethane 136.08
    ethyl orthosilicate 15.84
    tributyl phosphate 12.22
    diacetone alcohol 73.64
    N,N-dimethylaniline 22.27
    acrylonitrile 48.42
    aniline 13.19
    1,3-propanediol 112.05
    bromobenzene 3.84
    dibromomethane 10.05
    1,1,2,2-tetrachloroethane 26.9
    2-methyl-cyclohexyl acetate 20.18
    tetrabutyl urea 18.76
    diisobutyl methanol 12.0
    2-phenylethanol 25.65
    styrene 4.71
    dioctyl adipate 19.24
    dimethyl sulfate 99.7
    ethyl butyrate 22.45
    methyl lactate 56.18
    butyl lactate 18.96
    diethyl carbonate 18.22
    propanediol butyl ether 40.56
    triethyl orthoformate 18.02
    p-tert-butyltoluene 6.95
    methyl 4-tert-butylbenzoate 33.73
    morpholine 108.15
    tert-butylamine 25.08
    n-dodecanol 10.8
    dimethoxymethane 140.87
    ethylene carbonate 32.13
    cyrene 57.98
    2-ethoxyethyl acetate 28.72
    2-ethylhexyl acetate 14.02
    1,2,4-trichlorobenzene 12.29
    4-methylpyridine 21.21
    dibutyl ether 12.65
    2,6-dimethyl-4-heptanol 12.0
    DEF 60.53
    dimethyl isosorbide 70.46
    tetrachloroethylene 20.81
    eugenol 34.39
    triacetin 30.29
    span 80 30.08
    1,4-butanediol 53.28
    1,1-dichloroethane 11.98
    2-methyl-1-pentanol 20.99
    methyl formate 149.13
    2-methyl-1-butanol 22.99
    n-decane 1.96
    butyronitrile 21.76
    3,7-dimethyl-1-octanol 15.37
    1-chlorooctane 7.79
    1-chlorotetradecane 3.65
    n-nonane 1.75
    undecane 1.59
    tert-butylcyclohexane 1.19
    cyclooctane 0.61
    cyclopentanol 41.09
    tetrahydropyran 38.28
    tert-amyl methyl ether 28.51
    2,5,8-trioxanonane 79.73
    1-hexene 2.9
    2-isopropoxyethanol 71.46
    2,2,2-trifluoroethanol 64.37
    methyl butyrate 40.06

    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