Homovanillin

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  • Identifiers

    CAS number
    5703-24-2

    Molecular formula
    C9H10O3

    SMILES
    COC1=C(C=CC(=C1)CC=O)O

  • Odor profile

    Fragrance
    Sweet 75.09%
    Vanilla 74.71%
    Spicy 58.12%
    Floral 51.02%
    Creamy 45.54%
    Phenolic 44.31%
    Powdery 43.66%
    Woody 40.86%
    Balsamic 40.02%
    Clove 37.2%

     

    Flavor
    Sweet 91.81%
    Vanilla 60.84%
    Spicy 54.58%
    Woody 54.27%
    Creamy 47.59%
    Clove 47.59%
    Powdery 43.83%
    Spice 42.09%
    Cinnamon 36.95%
    Caramel 36.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.17 (weak base)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 134.18 ˚C est.

  • Synonyms

    • 2-(4-hydroxy-3-methoxyphenyl)acetaldehyde
    • Homovanillin
    • 5703-24-2
    • (4-Hydroxy-3-methoxyphenyl)acetaldehyde
    • HMPAL
    • UR4FHW3APJ
    • Benzeneacetaldehyde, 4-hydroxy-3-methoxy-
    • 3-Methoxy-4-hydroxyphenylacetaldehyde
    • 2-(4-hydroxy-3-methoxy-phenyl)acetaldehyde
    • CHEBI:28111
    • DTXSID70205641
    • 4-hydroxy-3-methoxybenzeneacetaldehyde
    • 2-(4-hydroxy-3-methoxyphenyl) Ethanal
    • 4-hydroxy-3-methoxy-Benzeneacetaldehyde
    • Ethanal, 2-(4-hydroxy-3-methoxyphenyl)
    • UNII-UR4FHW3APJ
    • SCHEMBL917723
    • DTXCID00128132
    • GOQGGGANVKPMNH-UHFFFAOYSA-N
    • AKOS006289526
    • DB-072236
    • NS00121677
    • C05581
    • G68296
    • EN300-1844405
    • Q27103508

  • Applications

    Homovanillin (CAS 5703-24-2) is primarily used as an aroma and fragrance intermediate in the chemical and flavor industries. In perfumery and cosmetics, it functions as an odorant and a building block for the synthesis of vanillin-related aroma compounds. It is commonly evaluated as a precursor in flavor and fragrance development and may serve as a starting point for producing aroma chemicals derived from benzaldehyde derivatives. In industrial manufacturing, it is used as an intermediate for organic synthesis and as a raw material for further chemical transformations. It can also be employed in coatings or household products as a fragrance component, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 195.42
    methanol 324.27
    isopropanol 100.76
    water 2.47
    ethyl acetate 149.91
    n-propanol 107.37
    acetone 463.17
    n-butanol 69.21
    acetonitrile 248.64
    DMF 677.38
    toluene 17.05
    isobutanol 55.27
    1,4-dioxane 330.47
    methyl acetate 241.63
    THF 451.01
    2-butanone 234.61
    n-pentanol 56.47
    sec-butanol 77.09
    n-hexane 2.8
    ethylene glycol 155.59
    NMP 416.96
    cyclohexane 4.36
    DMSO 1842.59
    n-butyl acetate 103.65
    n-octanol 31.08
    chloroform 142.36
    n-propyl acetate 128.03
    acetic acid 260.99
    dichloromethane 269.42
    cyclohexanone 220.16
    propylene glycol 84.17
    isopropyl acetate 60.22
    DMAc 385.12
    2-ethoxyethanol 243.42
    isopentanol 55.27
    n-heptane 3.8
    ethyl formate 149.92
    1,2-dichloroethane 237.09
    n-hexanol 60.49
    2-methoxyethanol 354.82
    isobutyl acetate 45.8
    tetrachloromethane 25.13
    n-pentyl acetate 42.15
    transcutol 448.94
    n-heptanol 27.23
    ethylbenzene 19.39
    MIBK 67.62
    2-propoxyethanol 153.76
    tert-butanol 154.09
    MTBE 79.96
    2-butoxyethanol 76.05
    propionic acid 169.67
    o-xylene 24.71
    formic acid 257.14
    diethyl ether 88.17
    m-xylene 19.6
    p-xylene 22.96
    chlorobenzene 52.8
    dimethyl carbonate 94.27
    n-octane 1.72
    formamide 537.73
    cyclopentanone 379.38
    2-pentanone 133.18
    anisole 95.87
    cyclopentyl methyl ether 104.53
    gamma-butyrolactone 490.04
    1-methoxy-2-propanol 174.45
    pyridine 147.31
    3-pentanone 95.63
    furfural 343.78
    n-dodecane 1.74
    diethylene glycol 197.06
    diisopropyl ether 18.07
    tert-amyl alcohol 106.23
    acetylacetone 195.76
    n-hexadecane 1.98
    acetophenone 105.04
    methyl propionate 151.5
    isopentyl acetate 73.6
    trichloroethylene 330.76
    n-nonanol 27.02
    cyclohexanol 57.67
    benzyl alcohol 72.37
    2-ethylhexanol 35.18
    isooctanol 22.94
    dipropyl ether 39.66
    1,2-dichlorobenzene 63.17
    ethyl lactate 74.99
    propylene carbonate 188.49
    n-methylformamide 464.75
    2-pentanol 39.65
    n-pentane 2.32
    1-propoxy-2-propanol 95.99
    1-methoxy-2-propyl acetate 103.14
    2-(2-methoxypropoxy) propanol 98.82
    mesitylene 15.61
    ε-caprolactone 181.54
    p-cymene 18.79
    epichlorohydrin 480.83
    1,1,1-trichloroethane 100.31
    2-aminoethanol 146.5
    morpholine-4-carbaldehyde 367.24
    sulfolane 674.04
    2,2,4-trimethylpentane 2.88
    2-methyltetrahydrofuran 213.13
    n-hexyl acetate 61.92
    isooctane 2.25
    2-(2-butoxyethoxy)ethanol 123.5
    sec-butyl acetate 54.2
    tert-butyl acetate 78.99
    decalin 4.35
    glycerin 163.2
    diglyme 271.71
    acrylic acid 174.7
    isopropyl myristate 24.17
    n-butyric acid 122.35
    acetyl acetate 81.57
    di(2-ethylhexyl) phthalate 30.1
    ethyl propionate 92.66
    nitromethane 773.63
    1,2-diethoxyethane 93.98
    benzonitrile 83.25
    trioctyl phosphate 23.28
    1-bromopropane 58.55
    gamma-valerolactone 384.48
    n-decanol 20.84
    triethyl phosphate 46.52
    4-methyl-2-pentanol 25.98
    propionitrile 113.94
    vinylene carbonate 159.27
    1,1,2-trichlorotrifluoroethane 268.17
    DMS 86.91
    cumene 16.54
    2-octanol 18.74
    2-hexanone 108.3
    octyl acetate 33.64
    limonene 26.69
    1,2-dimethoxyethane 337.5
    ethyl orthosilicate 37.54
    tributyl phosphate 29.54
    diacetone alcohol 127.8
    N,N-dimethylaniline 60.71
    acrylonitrile 198.29
    aniline 56.12
    1,3-propanediol 158.28
    bromobenzene 42.8
    dibromomethane 127.72
    1,1,2,2-tetrachloroethane 207.81
    2-methyl-cyclohexyl acetate 58.19
    tetrabutyl urea 42.25
    diisobutyl methanol 21.93
    2-phenylethanol 63.25
    styrene 24.81
    dioctyl adipate 45.2
    dimethyl sulfate 211.66
    ethyl butyrate 74.15
    methyl lactate 101.67
    butyl lactate 49.21
    diethyl carbonate 60.84
    propanediol butyl ether 84.18
    triethyl orthoformate 49.79
    p-tert-butyltoluene 17.74
    methyl 4-tert-butylbenzoate 75.77
    morpholine 348.42
    tert-butylamine 57.42
    n-dodecanol 15.74
    dimethoxymethane 249.77
    ethylene carbonate 125.11
    cyrene 116.64
    2-ethoxyethyl acetate 79.6
    2-ethylhexyl acetate 54.14
    1,2,4-trichlorobenzene 79.33
    4-methylpyridine 113.82
    dibutyl ether 31.89
    2,6-dimethyl-4-heptanol 21.93
    DEF 175.51
    dimethyl isosorbide 156.2
    tetrachloroethylene 139.61
    eugenol 76.79
    triacetin 89.28
    span 80 65.33
    1,4-butanediol 76.13
    1,1-dichloroethane 120.86
    2-methyl-1-pentanol 46.82
    methyl formate 372.01
    2-methyl-1-butanol 52.02
    n-decane 2.8
    butyronitrile 86.38
    3,7-dimethyl-1-octanol 31.87
    1-chlorooctane 15.98
    1-chlorotetradecane 6.41
    n-nonane 2.53
    undecane 2.16
    tert-butylcyclohexane 4.22
    cyclooctane 1.98
    cyclopentanol 92.59
    tetrahydropyran 165.23
    tert-amyl methyl ether 60.11
    2,5,8-trioxanonane 173.44
    1-hexene 15.11
    2-isopropoxyethanol 123.83
    2,2,2-trifluoroethanol 134.82
    methyl butyrate 145.91

    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