4-Methoxyphenylacetaldehyde

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  • Identifiers

    CAS number
    5703-26-4

    Molecular formula
    C9H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 82.5%
    Floral 78.63%
    Green 75.95%
    Anisic 54.12%
    Spicy 52.71%
    Powdery 49.08%
    Almond 43.66%
    Hyacinth 42.77%
    Cherry 42.53%
    Herbal 40.23%

     

    Flavor
    Sweet 85.73%
    Floral 69.75%
    Bitter 62.21%
    Spicy 52.9%
    Balsam 50.38%
    Hyacinth 49.59%
    Cinnamon 47.7%
    Vanilla 47.56%
    Honey 47.23%
    Chocolate 45.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.05 (neutral)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    270°C

    Flash point

    • 109.79 ˚C est.

  • Synonyms

    • 2-(4-methoxyphenyl)acetaldehyde
    • 5703-26-4
    • 4-Methoxyphenylacetaldehyde
    • (4-methoxyphenyl)acetaldehyde
    • MFCD02261769
    • EINECS 227-191-5
    • p-methoxyphenylacetaldehyde
    • DTXSID30205642
    • BENZENEACETALDEHYDE, 4-METHOXY-
    • (4-Methoxy-phenyl)-acetaldehyde
    • (4-Methoxyphenyl)ethanal
    • 4-methoxyphenyl acetaldehyde
    • SCHEMBL190915
    • 2-(4-methoxy-phenyl)-ethanone
    • DTXCID60128133
    • 2-(4-methoxyphenyl)-acetaldehyde
    • AKOS004120674
    • 4-Methoxyphenylacetaldehyde, tech grade
    • AB11810
    • CS-W005835
    • AC-25619
    • DS-13285
    • FM179422
    • SY025623
    • DB-013580
    • NS00022399
    • EN300-243514
    • F11615
    • F8883-7622
    • Z993017620
    • 227-191-5

  • Applications

    4-Methoxyphenylacetaldehyde is a versatile synthetic intermediate used primarily as a building block in fragrance and flavor chemistry, enabling the construction of anisyl para-substituted aroma compounds for perfumery and flavor formulations; it is also employed as an intermediate in pharmaceutical and medicinal chemistry for the synthesis of phenethylamine-type scaffolds and related heterocycles; in polymer and materials chemistry it serves as an aldehyde-building unit for reactions such as Knoevenagel condensations and for the preparation of functional polymers and dyes; in coatings and inks it can function as a reactive aldehyde partner for surface-functionalization and crosslinking; and in cosmetics and personal care it is regarded as a fragrance-building precursor used in formulations under regulatory limits. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 488.43
    methanol 640.23
    isopropanol 299.28
    water 7.0
    ethyl acetate 454.37
    n-propanol 319.09
    acetone 207.22
    n-butanol 251.22
    acetonitrile 608.22
    DMF 355.24
    toluene 180.89
    isobutanol 165.89
    1,4-dioxane 1095.25
    methyl acetate 435.69
    THF 354.91
    2-butanone 223.41
    n-pentanol 154.13
    sec-butanol 187.74
    n-hexane 6.6
    ethylene glycol 239.43
    NMP 139.93
    cyclohexane 24.26
    DMSO 521.64
    n-butyl acetate 100.22
    n-octanol 35.97
    chloroform 986.66
    n-propyl acetate 127.81
    acetic acid 455.64
    dichloromethane 836.23
    cyclohexanone 206.77
    propylene glycol 223.58
    isopropyl acetate 116.37
    DMAc 366.6
    2-ethoxyethanol 413.54
    isopentanol 139.46
    n-heptane 8.79
    ethyl formate 228.45
    1,2-dichloroethane 498.29
    n-hexanol 118.03
    2-methoxyethanol 709.2
    isobutyl acetate 61.7
    tetrachloromethane 99.78
    n-pentyl acetate 39.47
    transcutol 706.49
    n-heptanol 37.57
    ethylbenzene 59.11
    MIBK 65.22
    2-propoxyethanol 257.39
    tert-butanol 360.76
    MTBE 151.94
    2-butoxyethanol 99.37
    propionic acid 299.78
    o-xylene 92.23
    formic acid 346.55
    diethyl ether 265.44
    m-xylene 79.81
    p-xylene 66.37
    chlorobenzene 190.52
    dimethyl carbonate 113.78
    n-octane 3.59
    formamide 523.45
    cyclopentanone 160.45
    2-pentanone 127.08
    anisole 197.9
    cyclopentyl methyl ether 130.61
    gamma-butyrolactone 272.03
    1-methoxy-2-propanol 355.92
    pyridine 562.19
    3-pentanone 130.75
    furfural 391.49
    n-dodecane 3.98
    diethylene glycol 349.69
    diisopropyl ether 35.79
    tert-amyl alcohol 183.94
    acetylacetone 169.13
    n-hexadecane 4.46
    acetophenone 129.28
    methyl propionate 278.92
    isopentyl acetate 73.98
    trichloroethylene 795.46
    n-nonanol 34.95
    cyclohexanol 177.58
    benzyl alcohol 181.59
    2-ethylhexanol 54.48
    isooctanol 28.49
    dipropyl ether 73.81
    1,2-dichlorobenzene 142.8
    ethyl lactate 74.0
    propylene carbonate 152.08
    n-methylformamide 372.62
    2-pentanol 118.6
    n-pentane 8.35
    1-propoxy-2-propanol 134.07
    1-methoxy-2-propyl acetate 129.21
    2-(2-methoxypropoxy) propanol 118.98
    mesitylene 39.61
    ε-caprolactone 202.76
    p-cymene 28.93
    epichlorohydrin 502.1
    1,1,1-trichloroethane 365.16
    2-aminoethanol 337.08
    morpholine-4-carbaldehyde 399.57
    sulfolane 223.82
    2,2,4-trimethylpentane 6.01
    2-methyltetrahydrofuran 248.13
    n-hexyl acetate 57.34
    isooctane 4.34
    2-(2-butoxyethoxy)ethanol 168.88
    sec-butyl acetate 72.84
    tert-butyl acetate 99.23
    decalin 11.93
    glycerin 329.47
    diglyme 333.46
    acrylic acid 265.2
    isopropyl myristate 28.35
    n-butyric acid 313.65
    acetyl acetate 210.73
    di(2-ethylhexyl) phthalate 34.29
    ethyl propionate 127.3
    nitromethane 724.01
    1,2-diethoxyethane 184.96
    benzonitrile 183.47
    trioctyl phosphate 20.21
    1-bromopropane 201.62
    gamma-valerolactone 344.35
    n-decanol 27.6
    triethyl phosphate 51.14
    4-methyl-2-pentanol 46.41
    propionitrile 342.17
    vinylene carbonate 206.78
    1,1,2-trichlorotrifluoroethane 373.18
    DMS 97.61
    cumene 33.96
    2-octanol 21.37
    2-hexanone 92.11
    octyl acetate 34.5
    limonene 39.52
    1,2-dimethoxyethane 484.15
    ethyl orthosilicate 48.74
    tributyl phosphate 29.02
    diacetone alcohol 132.7
    N,N-dimethylaniline 95.64
    acrylonitrile 444.21
    aniline 294.32
    1,3-propanediol 435.89
    bromobenzene 188.12
    dibromomethane 475.54
    1,1,2,2-tetrachloroethane 575.26
    2-methyl-cyclohexyl acetate 60.36
    tetrabutyl urea 39.21
    diisobutyl methanol 32.1
    2-phenylethanol 120.86
    styrene 92.85
    dioctyl adipate 48.52
    dimethyl sulfate 144.83
    ethyl butyrate 86.5
    methyl lactate 127.89
    butyl lactate 43.22
    diethyl carbonate 78.76
    propanediol butyl ether 85.72
    triethyl orthoformate 63.89
    p-tert-butyltoluene 28.77
    methyl 4-tert-butylbenzoate 73.59
    morpholine 971.43
    tert-butylamine 158.29
    n-dodecanol 22.95
    dimethoxymethane 315.36
    ethylene carbonate 178.14
    cyrene 106.55
    2-ethoxyethyl acetate 92.04
    2-ethylhexyl acetate 56.53
    1,2,4-trichlorobenzene 171.3
    4-methylpyridine 346.38
    dibutyl ether 48.13
    2,6-dimethyl-4-heptanol 32.1
    DEF 218.22
    dimethyl isosorbide 155.84
    tetrachloroethylene 374.04
    eugenol 85.51
    triacetin 91.83
    span 80 79.05
    1,4-butanediol 163.26
    1,1-dichloroethane 442.47
    2-methyl-1-pentanol 97.6
    methyl formate 255.17
    2-methyl-1-butanol 132.81
    n-decane 5.77
    butyronitrile 237.5
    3,7-dimethyl-1-octanol 41.0
    1-chlorooctane 23.95
    1-chlorotetradecane 12.16
    n-nonane 5.11
    undecane 4.61
    tert-butylcyclohexane 10.0
    cyclooctane 7.27
    cyclopentanol 141.54
    tetrahydropyran 476.75
    tert-amyl methyl ether 94.33
    2,5,8-trioxanonane 241.1
    1-hexene 37.92
    2-isopropoxyethanol 199.83
    2,2,2-trifluoroethanol 174.52
    methyl butyrate 154.14

    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