Acetaldehyde, (4-methoxyphenoxy)-

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  • Identifiers

    CAS number
    68426-09-5

    Molecular formula
    C9H10O3

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

  • Odor profile

    Fragrance
    Sweet 74.18%
    Floral 65.75%
    Green 52.04%
    Vanilla 49.67%
    Anisic 44.86%
    Spicy 44.67%
    Fresh 43.09%
    Powdery 40.55%
    Woody 39.49%
    Herbal 37.75%

     

    Flavor
    Sweet 72.51%
    Vanilla 55.18%
    Bitter 49.53%
    Floral 47.21%
    Balsam 42.71%
    Creamy 40.79%
    Powdery 39.32%
    Fruity 36.74%
    Chocolate 33.65%
    Almond 33.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.25 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 122.75 ˚C est.

  • Synonyms

    • 2-(4-methoxyphenoxy)acetaldehyde
    • 68426-09-5
    • (4-Methoxyphenoxy)acetaldehyde
    • Acetaldehyde, (4-methoxyphenoxy)-
    • p-Methoxyphenoxyacetaldehyde
    • CCS9K5Q3AH
    • Acetaldehyde, 2-(4-methoxyphenoxy)-
    • 2-(4-methoxy-phenoxy)-ethanal
    • NSC-71550
    • DTXSID6071536
    • NSC 71550
    • NSC71550
    • EINECS 270-389-1
    • AI3-12039
    • UNII-CCS9K5Q3AH
    • NCIOpen2_000578
    • SCHEMBL1951879
    • DTXCID7045996
    • MFCD09883150
    • AKOS011011839
    • CS-0350425
    • NS00036598
    • EN300-135015

  • Applications

    Acetaldehyde, (4-methoxyphenoxy)-, CAS 68426-09-5, is mainly used as an intermediate in fragrance chemistry, serving as a building block to synthesize anisyl-derived aroma compounds; it may also function as a reactive aldehyde in organic synthesis for polymerizable fragrance precursors; in cosmetics/personal care formulations it can act as a fragrance component or scent precursor; in household products and cleaning formulations it can serve as an odorant or odor-modifying additive; in coatings, inks, and general industrial manufacturing, it is used as an intermediate for fragrance-containing resins and specialty monomers; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.37
    methanol 57.02
    isopropanol 20.12
    water 1.48
    ethyl acetate 173.25
    n-propanol 24.64
    acetone 119.98
    n-butanol 21.05
    acetonitrile 166.43
    DMF 117.52
    toluene 34.68
    isobutanol 16.24
    1,4-dioxane 262.46
    methyl acetate 161.72
    THF 249.25
    2-butanone 83.02
    n-pentanol 18.24
    sec-butanol 18.22
    n-hexane 2.37
    ethylene glycol 32.95
    NMP 137.28
    cyclohexane 6.11
    DMSO 343.99
    n-butyl acetate 60.33
    n-octanol 12.06
    chloroform 231.45
    n-propyl acetate 70.91
    acetic acid 142.27
    dichloromethane 369.7
    cyclohexanone 95.71
    propylene glycol 17.65
    isopropyl acetate 75.69
    DMAc 197.45
    2-ethoxyethanol 102.52
    isopentanol 22.07
    n-heptane 4.62
    ethyl formate 73.88
    1,2-dichloroethane 233.41
    n-hexanol 16.8
    2-methoxyethanol 144.63
    isobutyl acetate 38.83
    tetrachloromethane 26.12
    n-pentyl acetate 24.12
    transcutol 363.17
    n-heptanol 9.58
    ethylbenzene 20.64
    MIBK 38.16
    2-propoxyethanol 68.25
    tert-butanol 55.66
    MTBE 64.41
    2-butoxyethanol 33.58
    propionic acid 59.75
    o-xylene 30.57
    formic acid 92.19
    diethyl ether 80.86
    m-xylene 23.85
    p-xylene 27.37
    chlorobenzene 66.1
    dimethyl carbonate 74.75
    n-octane 2.29
    formamide 202.01
    cyclopentanone 132.11
    2-pentanone 53.01
    anisole 83.04
    cyclopentyl methyl ether 76.69
    gamma-butyrolactone 219.81
    1-methoxy-2-propanol 69.0
    pyridine 145.86
    3-pentanone 62.69
    furfural 228.07
    n-dodecane 2.6
    diethylene glycol 88.12
    diisopropyl ether 22.24
    tert-amyl alcohol 37.0
    acetylacetone 134.99
    n-hexadecane 2.98
    acetophenone 75.19
    methyl propionate 106.6
    isopentyl acetate 54.46
    trichloroethylene 383.97
    n-nonanol 12.69
    cyclohexanol 26.45
    benzyl alcohol 42.77
    2-ethylhexanol 17.14
    isooctanol 10.12
    dipropyl ether 41.13
    1,2-dichlorobenzene 73.08
    ethyl lactate 37.65
    propylene carbonate 104.95
    n-methylformamide 86.14
    2-pentanol 14.66
    n-pentane 2.32
    1-propoxy-2-propanol 44.92
    1-methoxy-2-propyl acetate 91.83
    2-(2-methoxypropoxy) propanol 77.94
    mesitylene 17.31
    ε-caprolactone 104.85
    p-cymene 18.8
    epichlorohydrin 304.61
    1,1,1-trichloroethane 151.19
    2-aminoethanol 35.64
    morpholine-4-carbaldehyde 207.87
    sulfolane 244.01
    2,2,4-trimethylpentane 3.01
    2-methyltetrahydrofuran 130.97
    n-hexyl acetate 35.2
    isooctane 2.16
    2-(2-butoxyethoxy)ethanol 82.49
    sec-butyl acetate 50.63
    tert-butyl acetate 84.66
    decalin 5.89
    glycerin 53.2
    diglyme 202.37
    acrylic acid 73.3
    isopropyl myristate 21.88
    n-butyric acid 64.28
    acetyl acetate 158.91
    di(2-ethylhexyl) phthalate 22.56
    ethyl propionate 79.34
    nitromethane 381.65
    1,2-diethoxyethane 115.43
    benzonitrile 60.21
    trioctyl phosphate 13.3
    1-bromopropane 58.77
    gamma-valerolactone 194.16
    n-decanol 10.85
    triethyl phosphate 51.45
    4-methyl-2-pentanol 12.5
    propionitrile 83.03
    vinylene carbonate 107.11
    1,1,2-trichlorotrifluoroethane 184.76
    DMS 92.16
    cumene 16.47
    2-octanol 7.35
    2-hexanone 44.84
    octyl acetate 23.63
    limonene 24.85
    1,2-dimethoxyethane 204.2
    ethyl orthosilicate 44.55
    tributyl phosphate 23.58
    diacetone alcohol 68.51
    N,N-dimethylaniline 52.07
    acrylonitrile 118.02
    aniline 52.61
    1,3-propanediol 46.76
    bromobenzene 70.93
    dibromomethane 167.82
    1,1,2,2-tetrachloroethane 235.77
    2-methyl-cyclohexyl acetate 52.24
    tetrabutyl urea 30.09
    diisobutyl methanol 15.76
    2-phenylethanol 37.18
    styrene 30.41
    dioctyl adipate 42.02
    dimethyl sulfate 135.09
    ethyl butyrate 69.58
    methyl lactate 51.14
    butyl lactate 22.27
    diethyl carbonate 69.22
    propanediol butyl ether 29.53
    triethyl orthoformate 57.06
    p-tert-butyltoluene 18.16
    methyl 4-tert-butylbenzoate 54.71
    morpholine 207.21
    tert-butylamine 28.39
    n-dodecanol 9.59
    dimethoxymethane 138.18
    ethylene carbonate 88.51
    cyrene 75.15
    2-ethoxyethyl acetate 63.28
    2-ethylhexyl acetate 46.13
    1,2,4-trichlorobenzene 97.09
    4-methylpyridine 89.83
    dibutyl ether 32.42
    2,6-dimethyl-4-heptanol 15.76
    DEF 89.72
    dimethyl isosorbide 155.55
    tetrachloroethylene 140.98
    eugenol 52.37
    triacetin 84.4
    span 80 39.51
    1,4-butanediol 20.37
    1,1-dichloroethane 140.19
    2-methyl-1-pentanol 20.93
    methyl formate 89.23
    2-methyl-1-butanol 18.55
    n-decane 3.62
    butyronitrile 51.74
    3,7-dimethyl-1-octanol 17.27
    1-chlorooctane 13.48
    1-chlorotetradecane 7.66
    n-nonane 3.2
    undecane 2.97
    tert-butylcyclohexane 5.1
    cyclooctane 2.88
    cyclopentanol 31.58
    tetrahydropyran 109.04
    tert-amyl methyl ether 50.12
    2,5,8-trioxanonane 168.56
    1-hexene 9.85
    2-isopropoxyethanol 59.93
    2,2,2-trifluoroethanol 88.25
    methyl butyrate 81.04

    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