4-Methoxy-alpha-methylbenzeneacetaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5405-83-4

    Molecular formula
    C10H12O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 87.34%
    Floral 78.12%
    Sweet 68.87%
    Fresh 52.57%
    Herbal 47.4%
    Cortex 46.31%
    Anisic 43.88%
    Woody 42.38%
    Spicy 40.91%
    Leafy 40.88%

     

    Flavor
    Floral 74.08%
    Green 68.82%
    Sweet 48.23%
    Fresh 45.09%
    Hyacinth 42.49%
    Spicy 35.97%
    Leaf 33.9%
    Fruity 33.85%
    Bitter 32.34%
    Lilac 30.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.09 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 114.42 ˚C est.

  • Synonyms

    • 2-(4-methoxyphenyl)propanal
    • 5405-83-4
    • Benzeneacetaldehyde, 4-methoxy-a-methyl-
    • DTXSID001288190
    • NSC5235
    • 2-(4-methoxy-phenyl)-propionaldehyde
    • SCHEMBL615428
    • DTXCID901718833
    • FAA40583
    • NSC-5235
    • AKOS014313739
    • 4-Methoxy-alpha-methylbenzeneacetaldehyde
    • 4-Methoxy-I+/--methylbenzeneacetaldehyde
    • DB-226635
    • EN300-124134
    • G59975
    • F1967-2634
    • Z1255380175
    • 828-366-4

  • Applications

    4-Methoxy-alpha-methylbenzeneacetaldehyde (CAS 5405-83-4) is primarily used as a fragrance ingredient and as a synthetic intermediate in the production of more complex aroma compounds; it also serves as a flavor precursor in certain flavor formulations; in cosmetics and personal care it contributes to fragrance profiles; in household products it functions as a fragrance component for cleaners and detergents; in industrial manufacturing it is valued as a building block for aroma-chemical synthesis and can serve as a chiral building block in asymmetric synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 318.96
    methanol 476.25
    isopropanol 172.14
    water 4.12
    ethyl acetate 581.74
    n-propanol 235.73
    acetone 277.19
    n-butanol 206.79
    acetonitrile 396.63
    DMF 350.2
    toluene 160.86
    isobutanol 130.44
    1,4-dioxane 1123.3
    methyl acetate 445.11
    THF 442.33
    2-butanone 257.95
    n-pentanol 110.37
    sec-butanol 123.55
    n-hexane 7.54
    ethylene glycol 149.89
    NMP 176.07
    cyclohexane 24.66
    DMSO 357.59
    n-butyl acetate 159.87
    n-octanol 25.72
    chloroform 1304.47
    n-propyl acetate 169.5
    acetic acid 498.16
    dichloromethane 1181.74
    cyclohexanone 296.97
    propylene glycol 102.14
    isopropyl acetate 205.71
    DMAc 337.06
    2-ethoxyethanol 359.31
    isopentanol 170.03
    n-heptane 5.6
    ethyl formate 240.05
    1,2-dichloroethane 887.56
    n-hexanol 104.99
    2-methoxyethanol 631.04
    isobutyl acetate 94.8
    tetrachloromethane 147.74
    n-pentyl acetate 55.89
    transcutol 903.25
    n-heptanol 34.23
    ethylbenzene 61.99
    MIBK 121.5
    2-propoxyethanol 256.74
    tert-butanol 335.08
    MTBE 263.78
    2-butoxyethanol 100.09
    propionic acid 264.37
    o-xylene 90.74
    formic acid 328.4
    diethyl ether 413.72
    m-xylene 84.91
    p-xylene 73.73
    chlorobenzene 258.02
    dimethyl carbonate 162.75
    n-octane 2.45
    formamide 581.33
    cyclopentanone 247.54
    2-pentanone 187.57
    anisole 234.64
    cyclopentyl methyl ether 185.11
    gamma-butyrolactone 384.71
    1-methoxy-2-propanol 289.73
    pyridine 518.53
    3-pentanone 179.65
    furfural 492.6
    n-dodecane 2.61
    diethylene glycol 319.71
    diisopropyl ether 61.76
    tert-amyl alcohol 184.37
    acetylacetone 294.39
    n-hexadecane 3.0
    acetophenone 149.46
    methyl propionate 311.84
    isopentyl acetate 139.08
    trichloroethylene 1398.87
    n-nonanol 26.16
    cyclohexanol 149.91
    benzyl alcohol 152.76
    2-ethylhexanol 57.54
    isooctanol 30.89
    dipropyl ether 75.91
    1,2-dichlorobenzene 231.25
    ethyl lactate 80.19
    propylene carbonate 226.97
    n-methylformamide 306.47
    2-pentanol 94.5
    n-pentane 8.72
    1-propoxy-2-propanol 129.5
    1-methoxy-2-propyl acetate 205.84
    2-(2-methoxypropoxy) propanol 140.74
    mesitylene 53.03
    ε-caprolactone 279.23
    p-cymene 35.96
    epichlorohydrin 702.92
    1,1,1-trichloroethane 594.14
    2-aminoethanol 217.49
    morpholine-4-carbaldehyde 457.29
    sulfolane 349.05
    2,2,4-trimethylpentane 8.43
    2-methyltetrahydrofuran 311.89
    n-hexyl acetate 71.41
    isooctane 6.56
    2-(2-butoxyethoxy)ethanol 181.78
    sec-butyl acetate 116.83
    tert-butyl acetate 215.6
    decalin 13.57
    glycerin 199.97
    diglyme 410.73
    acrylic acid 259.17
    isopropyl myristate 35.17
    n-butyric acid 322.43
    acetyl acetate 318.6
    di(2-ethylhexyl) phthalate 45.14
    ethyl propionate 179.79
    nitromethane 801.41
    1,2-diethoxyethane 261.49
    benzonitrile 171.92
    trioctyl phosphate 25.44
    1-bromopropane 265.97
    gamma-valerolactone 493.79
    n-decanol 20.76
    triethyl phosphate 77.27
    4-methyl-2-pentanol 58.67
    propionitrile 285.89
    vinylene carbonate 289.63
    1,1,2-trichlorotrifluoroethane 463.77
    DMS 151.05
    cumene 42.72
    2-octanol 19.34
    2-hexanone 116.23
    octyl acetate 40.13
    limonene 50.47
    1,2-dimethoxyethane 529.32
    ethyl orthosilicate 76.0
    tributyl phosphate 40.47
    diacetone alcohol 200.09
    N,N-dimethylaniline 104.5
    acrylonitrile 370.02
    aniline 257.91
    1,3-propanediol 322.96
    bromobenzene 257.23
    dibromomethane 645.94
    1,1,2,2-tetrachloroethane 933.05
    2-methyl-cyclohexyl acetate 97.86
    tetrabutyl urea 47.05
    diisobutyl methanol 39.27
    2-phenylethanol 134.17
    styrene 99.21
    dioctyl adipate 65.4
    dimethyl sulfate 190.39
    ethyl butyrate 130.62
    methyl lactate 128.61
    butyl lactate 51.97
    diethyl carbonate 117.52
    propanediol butyl ether 77.63
    triethyl orthoformate 97.71
    p-tert-butyltoluene 36.37
    methyl 4-tert-butylbenzoate 99.52
    morpholine 879.12
    tert-butylamine 170.7
    n-dodecanol 17.12
    dimethoxymethane 373.47
    ethylene carbonate 247.71
    cyrene 130.77
    2-ethoxyethyl acetate 147.53
    2-ethylhexyl acetate 104.66
    1,2,4-trichlorobenzene 264.25
    4-methylpyridine 331.55
    dibutyl ether 49.89
    2,6-dimethyl-4-heptanol 39.27
    DEF 246.12
    dimethyl isosorbide 230.89
    tetrachloroethylene 668.07
    eugenol 110.71
    triacetin 121.18
    span 80 84.38
    1,4-butanediol 95.12
    1,1-dichloroethane 588.96
    2-methyl-1-pentanol 104.69
    methyl formate 249.82
    2-methyl-1-butanol 133.39
    n-decane 3.8
    butyronitrile 205.16
    3,7-dimethyl-1-octanol 39.72
    1-chlorooctane 21.38
    1-chlorotetradecane 10.56
    n-nonane 3.18
    undecane 3.05
    tert-butylcyclohexane 11.98
    cyclooctane 6.9
    cyclopentanol 108.24
    tetrahydropyran 512.36
    tert-amyl methyl ether 150.22
    2,5,8-trioxanonane 273.26
    1-hexene 37.61
    2-isopropoxyethanol 194.48
    2,2,2-trifluoroethanol 230.31
    methyl butyrate 202.47

    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