3-(4-Hydroxy-3-methoxyphenyl)propionaldehyde

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  • Identifiers

    CAS number
    80638-48-8

    Molecular formula
    C10H12O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 81.3%
    Vanilla 73.44%
    Spicy 59.31%
    Floral 48.75%
    Creamy 46.53%
    Balsamic 41.86%
    Powdery 40.17%
    Phenolic 34.1%
    Clove 33.95%
    Woody 31.63%

     

    Flavor
    Sweet 85.44%
    Spicy 63.29%
    Vanilla 58.49%
    Woody 53.35%
    Clove 49.73%
    Creamy 44.24%
    Spice 42.05%
    Cinnamon 41.03%
    Floral 40.05%
    Powdery 39.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.78 (weak base)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point

    • 137.79 ˚C est.

  • Synonyms

    • 80638-48-8
    • 3-(4-Hydroxy-3-methoxyphenyl)propanal
    • Benzenepropanal, 4-hydroxy-3-methoxy-
    • dihydroconiferyl aldehyde
    • EINECS 279-524-9
    • L47JXE0XF2
    • 3-(4-Hydroxy-3-methoxyphenyl)propionaldehyde
    • MFCD09028625
    • 4-Hydroxy-3-methoxyphenylpropanal
    • DTXSID20868588
    • Propanal, 3-(4-hydroxy-3-methoxyphenyl)
    • UNII-L47JXE0XF2
    • Koniferylaldehyd
    • starbld0018108
    • 4-Propanal-2-methoxyphenol
    • SCHEMBL910431
    • CHEMBL4207280
    • DTXCID80816681
    • CHEBI:165228
    • AKOS006290565
    • 3-(4-hydroxy-3-methoxy-phenyl)propanal
    • SY320587
    • NS00060844
    • 3-(4-hydroxy-3-methoxyphenyl) propionaldehyde
    • E79691
    • EN300-1847494
    • Q27282684
    • 279-524-9

  • Applications

    3-(4-Hydroxy-3-methoxyphenyl)propionaldehyde (CAS 80638-48-8) is used primarily as an intermediate and fragrance ingredient in industrial aroma chemistry: in perfumery as an odorant with vanilla-like nuance; in flavor applications as a fragrance precursor or flavor note; in cosmetics and personal care as a fragrance component to impart a vanilla-like scent; in household and cleaning products to provide a pleasant aroma; and in industrial manufacturing as a building block for vanillin-related aroma compounds and other fragrance ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 218.67
    methanol 381.62
    isopropanol 99.25
    water 1.51
    ethyl acetate 231.49
    n-propanol 102.52
    acetone 272.29
    n-butanol 68.17
    acetonitrile 197.88
    DMF 278.47
    toluene 31.62
    isobutanol 56.83
    1,4-dioxane 421.73
    methyl acetate 245.09
    THF 369.78
    2-butanone 146.98
    n-pentanol 62.19
    sec-butanol 58.71
    n-hexane 1.07
    ethylene glycol 151.65
    NMP 124.89
    cyclohexane 3.01
    DMSO 686.29
    n-butyl acetate 86.81
    n-octanol 37.1
    chloroform 194.06
    n-propyl acetate 121.11
    acetic acid 322.87
    dichloromethane 312.64
    cyclohexanone 154.9
    propylene glycol 97.13
    isopropyl acetate 79.0
    DMAc 197.5
    2-ethoxyethanol 245.47
    isopentanol 61.33
    n-heptane 2.79
    ethyl formate 188.97
    1,2-dichloroethane 221.67
    n-hexanol 65.26
    2-methoxyethanol 377.22
    isobutyl acetate 61.97
    tetrachloromethane 19.26
    n-pentyl acetate 43.19
    transcutol 355.14
    n-heptanol 36.9
    ethylbenzene 24.48
    MIBK 67.33
    2-propoxyethanol 160.72
    tert-butanol 256.54
    MTBE 86.75
    2-butoxyethanol 88.23
    propionic acid 149.84
    o-xylene 30.19
    formic acid 219.74
    diethyl ether 68.71
    m-xylene 29.4
    p-xylene 30.85
    chlorobenzene 60.26
    dimethyl carbonate 84.25
    n-octane 2.54
    formamide 405.39
    cyclopentanone 216.07
    2-pentanone 96.39
    anisole 90.24
    cyclopentyl methyl ether 78.5
    gamma-butyrolactone 320.75
    1-methoxy-2-propanol 187.04
    pyridine 145.55
    3-pentanone 63.61
    furfural 280.63
    n-dodecane 3.53
    diethylene glycol 223.82
    diisopropyl ether 17.13
    tert-amyl alcohol 110.78
    acetylacetone 166.95
    n-hexadecane 3.88
    acetophenone 87.65
    methyl propionate 137.38
    isopentyl acetate 70.9
    trichloroethylene 338.25
    n-nonanol 33.71
    cyclohexanol 59.62
    benzyl alcohol 86.88
    2-ethylhexanol 39.36
    isooctanol 31.74
    dipropyl ether 36.2
    1,2-dichlorobenzene 63.99
    ethyl lactate 72.86
    propylene carbonate 167.22
    n-methylformamide 240.16
    2-pentanol 37.6
    n-pentane 0.94
    1-propoxy-2-propanol 91.21
    1-methoxy-2-propyl acetate 98.51
    2-(2-methoxypropoxy) propanol 95.06
    mesitylene 20.82
    ε-caprolactone 142.0
    p-cymene 21.46
    epichlorohydrin 386.54
    1,1,1-trichloroethane 115.18
    2-aminoethanol 157.17
    morpholine-4-carbaldehyde 229.91
    sulfolane 298.45
    2,2,4-trimethylpentane 2.62
    2-methyltetrahydrofuran 148.39
    n-hexyl acetate 60.59
    isooctane 2.45
    2-(2-butoxyethoxy)ethanol 124.25
    sec-butyl acetate 61.57
    tert-butyl acetate 93.88
    decalin 4.61
    glycerin 174.11
    diglyme 240.66
    acrylic acid 141.05
    isopropyl myristate 30.1
    n-butyric acid 160.83
    acetyl acetate 130.19
    di(2-ethylhexyl) phthalate 35.31
    ethyl propionate 85.87
    nitromethane 604.65
    1,2-diethoxyethane 98.52
    benzonitrile 92.94
    trioctyl phosphate 27.2
    1-bromopropane 50.87
    gamma-valerolactone 283.7
    n-decanol 28.05
    triethyl phosphate 43.35
    4-methyl-2-pentanol 30.12
    propionitrile 114.7
    vinylene carbonate 164.74
    1,1,2-trichlorotrifluoroethane 224.86
    DMS 77.72
    cumene 21.13
    2-octanol 24.0
    2-hexanone 81.9
    octyl acetate 38.35
    limonene 28.0
    1,2-dimethoxyethane 303.98
    ethyl orthosilicate 37.95
    tributyl phosphate 32.97
    diacetone alcohol 133.41
    N,N-dimethylaniline 55.32
    acrylonitrile 190.98
    aniline 70.05
    1,3-propanediol 195.87
    bromobenzene 53.66
    dibromomethane 142.19
    1,1,2,2-tetrachloroethane 209.53
    2-methyl-cyclohexyl acetate 55.79
    tetrabutyl urea 43.83
    diisobutyl methanol 28.77
    2-phenylethanol 72.28
    styrene 30.99
    dioctyl adipate 49.17
    dimethyl sulfate 121.95
    ethyl butyrate 70.86
    methyl lactate 91.84
    butyl lactate 46.25
    diethyl carbonate 59.06
    propanediol butyl ether 81.83
    triethyl orthoformate 49.28
    p-tert-butyltoluene 21.06
    methyl 4-tert-butylbenzoate 75.74
    morpholine 345.32
    tert-butylamine 73.53
    n-dodecanol 23.32
    dimethoxymethane 218.78
    ethylene carbonate 138.25
    cyrene 103.9
    2-ethoxyethyl acetate 80.82
    2-ethylhexyl acetate 49.37
    1,2,4-trichlorobenzene 77.09
    4-methylpyridine 99.79
    dibutyl ether 36.58
    2,6-dimethyl-4-heptanol 28.77
    DEF 103.32
    dimethyl isosorbide 142.38
    tetrachloroethylene 135.97
    eugenol 82.23
    triacetin 84.5
    span 80 66.74
    1,4-butanediol 87.7
    1,1-dichloroethane 142.21
    2-methyl-1-pentanol 54.1
    methyl formate 265.4
    2-methyl-1-butanol 48.91
    n-decane 4.74
    butyronitrile 92.52
    3,7-dimethyl-1-octanol 37.28
    1-chlorooctane 22.74
    1-chlorotetradecane 11.32
    n-nonane 3.98
    undecane 4.02
    tert-butylcyclohexane 4.67
    cyclooctane 1.62
    cyclopentanol 73.06
    tetrahydropyran 162.69
    tert-amyl methyl ether 54.1
    2,5,8-trioxanonane 174.13
    1-hexene 8.41
    2-isopropoxyethanol 141.65
    2,2,2-trifluoroethanol 129.86
    methyl butyrate 124.37

    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