2-Methyl-3-(p-methoxyphenyl)propanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5462-06-6

    Molecular formula
    C11H14O2

    SMILES
    CC(CC1=CC=C(C=C1)OC)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 85.45%
    Floral 76.23%
    Sweet 76.1%
    Fresh 56.65%
    Fruity 49.88%
    Aldehydic 41.34%
    Powdery 40.3%
    Melon 38.7%
    Cortex 38.59%
    Hyacinth 37.2%

     

    Flavor
    Sweet 65.37%
    Floral 64.49%
    Green 52.81%
    Spicy 45.95%
    Fresh 42.62%
    Fruity 41.63%
    Balsam 40.11%
    Hyacinth 36.84%
    Chocolate 34.56%
    Musty 30.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.32 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    270°C

    Flash point

    • 113.98 ˚C est.

  • Synonyms

    • 5462-06-6
    • 3-(4-methoxyphenyl)-2-methylpropanal
    • 3-(4-METHOXYPHENYL)-2-METHYLPROPIONALDEHYDE
    • 2-METHYL-3-(PARA-METHOXY PHENYL)-PROPANAL
    • 2-(p-Anisyl)propanal
    • 2-Anisylpropional
    • 2-Methyl-3-(p-methoxyphenyl)propanal
    • L7QWJ4USPC
    • p-Methoxyhydratropaldehyde
    • 2-Methyl-3-(4-methoxyphenyl)propionaldehyde
    • 2-methyl-3-(4-methoxyphenyl)-propanal
    • Benzenepropanal, 4-methoxy-.alpha.-methyl-
    • EINECS 226-749-5
    • 4-Methoxy-alpha-methylbenzenepropanal
    • NSC 22280
    • NSC-22280
    • BRN 2443561
    • p-Methoxy-alpha-methylhydrocinnamaldehyde
    • Benzenepropanal, 4-methoxy-alpha-methyl-
    • 3-(p-Methoxyphenyl)-2-methylpropionaldehyde
    • Hydrocinnamaldehyde, p-methoxy-alpha-methyl-
    • 2-Methyl-3-(p-Methoxyphenyl)-propanaldehyde
    • DTXSID6044567
    • 2-methyl-3-(4-methoxyphenyl)propanal
    • Canthoxal
    • 2-METHYL-3-(P-METHOXYPHENYL)PROPIONALDEHYDE
    • 4-08-00-00516 (Beilstein Handbook Reference)
    • HYDROCINNAMALDEHYDE, P-METHOXY-.ALPHA.-METHYL-
    • NSC22280
    • MFCD00187533
    • UNII-L7QWJ4USPC
    • SCHEMBL113550
    • DTXCID4024567
    • AKOS006273895
    • AS-38140
    • p-Methoxy-.alpha.-methylhydrocinnamaldehyde
    • DB-052617
    • DB-347599
    • NS00012831
    • 3-(4-Methoxy-phenyl)-2-methyl-propionaldehyde
    • Hydrocinnamaldehyde, p-methoxy-alpha-methyl-(9CI)
    • Q27282816

  • Applications

    2-Methyl-3-(p-methoxyphenyl)propanal (CAS 5462-06-6) is primarily used as a fragrance ingredient and odorant in the perfumery industry, serving as a precursor for the synthesis of more complex aroma compounds. It is also employed in cosmetics and personal care as a fragrance component, and in household and cleaning products as a scent additive. In industrial manufacturing, it is often treated as a building block or intermediate for aroma-related syntheses in fine chemicals. Owing to the p-methoxyphenyl moiety, it may serve as a starting point for organic synthesis in pharmaceutical and specialty chemical contexts. In polymers, coatings and inks, it can be added as a fragrance to impart odor to end products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1040.68
    methanol 1284.57
    isopropanol 518.94
    water 1.06
    ethyl acetate 1927.47
    n-propanol 601.74
    acetone 1186.25
    n-butanol 476.37
    acetonitrile 1341.07
    DMF 820.05
    toluene 280.32
    isobutanol 307.55
    1,4-dioxane 1529.84
    methyl acetate 1397.82
    THF 1033.24
    2-butanone 941.06
    n-pentanol 329.23
    sec-butanol 325.08
    n-hexane 8.26
    ethylene glycol 292.1
    NMP 386.79
    cyclohexane 13.77
    DMSO 1357.19
    n-butyl acetate 629.73
    n-octanol 75.04
    chloroform 1786.26
    n-propyl acetate 567.28
    acetic acid 889.11
    dichloromethane 2360.67
    cyclohexanone 718.29
    propylene glycol 365.24
    isopropyl acetate 568.68
    DMAc 578.03
    2-ethoxyethanol 894.95
    isopentanol 369.08
    n-heptane 8.57
    ethyl formate 779.18
    1,2-dichloroethane 1516.03
    n-hexanol 292.42
    2-methoxyethanol 1438.1
    isobutyl acetate 281.46
    tetrachloromethane 147.26
    n-pentyl acetate 168.26
    transcutol 2505.88
    n-heptanol 78.22
    ethylbenzene 113.46
    MIBK 324.63
    2-propoxyethanol 714.19
    tert-butanol 729.55
    MTBE 542.02
    2-butoxyethanol 236.6
    propionic acid 628.34
    o-xylene 136.41
    formic acid 457.59
    diethyl ether 701.17
    m-xylene 157.6
    p-xylene 130.43
    chlorobenzene 419.4
    dimethyl carbonate 331.74
    n-octane 4.36
    formamide 850.77
    cyclopentanone 777.19
    2-pentanone 715.23
    anisole 397.7
    cyclopentyl methyl ether 432.51
    gamma-butyrolactone 1080.95
    1-methoxy-2-propanol 811.84
    pyridine 797.04
    3-pentanone 459.54
    furfural 968.39
    n-dodecane 4.7
    diethylene glycol 682.26
    diisopropyl ether 114.0
    tert-amyl alcohol 402.93
    acetylacetone 836.47
    n-hexadecane 5.43
    acetophenone 304.22
    methyl propionate 955.1
    isopentyl acetate 450.69
    trichloroethylene 2626.89
    n-nonanol 65.98
    cyclohexanol 264.11
    benzyl alcohol 309.22
    2-ethylhexanol 144.75
    isooctanol 68.28
    dipropyl ether 189.81
    1,2-dichlorobenzene 332.8
    ethyl lactate 211.02
    propylene carbonate 583.23
    n-methylformamide 894.31
    2-pentanol 252.06
    n-pentane 6.62
    1-propoxy-2-propanol 414.62
    1-methoxy-2-propyl acetate 603.01
    2-(2-methoxypropoxy) propanol 287.0
    mesitylene 83.25
    ε-caprolactone 641.8
    p-cymene 68.89
    epichlorohydrin 1810.33
    1,1,1-trichloroethane 970.88
    2-aminoethanol 503.25
    morpholine-4-carbaldehyde 807.73
    sulfolane 862.4
    2,2,4-trimethylpentane 11.16
    2-methyltetrahydrofuran 756.91
    n-hexyl acetate 214.23
    isooctane 10.3
    2-(2-butoxyethoxy)ethanol 432.09
    sec-butyl acetate 325.65
    tert-butyl acetate 502.07
    decalin 16.39
    glycerin 437.33
    diglyme 870.48
    acrylic acid 494.48
    isopropyl myristate 80.5
    n-butyric acid 853.38
    acetyl acetate 670.93
    di(2-ethylhexyl) phthalate 89.62
    ethyl propionate 472.35
    nitromethane 2052.67
    1,2-diethoxyethane 673.02
    benzonitrile 367.57
    trioctyl phosphate 56.89
    1-bromopropane 487.3
    gamma-valerolactone 1109.91
    n-decanol 50.94
    triethyl phosphate 135.13
    4-methyl-2-pentanol 138.5
    propionitrile 676.68
    vinylene carbonate 554.74
    1,1,2-trichlorotrifluoroethane 865.06
    DMS 315.76
    cumene 74.69
    2-octanol 46.37
    2-hexanone 375.22
    octyl acetate 100.44
    limonene 94.66
    1,2-dimethoxyethane 1006.16
    ethyl orthosilicate 129.32
    tributyl phosphate 90.91
    diacetone alcohol 519.5
    N,N-dimethylaniline 181.04
    acrylonitrile 860.97
    aniline 409.95
    1,3-propanediol 683.7
    bromobenzene 429.79
    dibromomethane 1170.1
    1,1,2,2-tetrachloroethane 1570.2
    2-methyl-cyclohexyl acetate 201.8
    tetrabutyl urea 103.63
    diisobutyl methanol 87.41
    2-phenylethanol 271.12
    styrene 164.46
    dioctyl adipate 138.44
    dimethyl sulfate 389.37
    ethyl butyrate 382.46
    methyl lactate 300.86
    butyl lactate 147.86
    diethyl carbonate 263.9
    propanediol butyl ether 228.57
    triethyl orthoformate 202.43
    p-tert-butyltoluene 66.48
    methyl 4-tert-butylbenzoate 190.42
    morpholine 1622.61
    tert-butylamine 303.37
    n-dodecanol 40.39
    dimethoxymethane 844.14
    ethylene carbonate 474.59
    cyrene 246.15
    2-ethoxyethyl acetate 406.51
    2-ethylhexyl acetate 309.5
    1,2,4-trichlorobenzene 401.87
    4-methylpyridine 700.95
    dibutyl ether 136.23
    2,6-dimethyl-4-heptanol 87.41
    DEF 633.82
    dimethyl isosorbide 459.07
    tetrachloroethylene 880.35
    eugenol 208.51
    triacetin 284.25
    span 80 175.75
    1,4-butanediol 260.62
    1,1-dichloroethane 1283.4
    2-methyl-1-pentanol 253.93
    methyl formate 711.94
    2-methyl-1-butanol 291.1
    n-decane 7.5
    butyronitrile 633.39
    3,7-dimethyl-1-octanol 103.2
    1-chlorooctane 53.57
    1-chlorotetradecane 21.83
    n-nonane 6.77
    undecane 5.68
    tert-butylcyclohexane 18.32
    cyclooctane 6.12
    cyclopentanol 252.82
    tetrahydropyran 846.52
    tert-amyl methyl ether 295.64
    2,5,8-trioxanonane 539.76
    1-hexene 78.35
    2-isopropoxyethanol 509.59
    2,2,2-trifluoroethanol 303.98
    methyl butyrate 608.26

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.11 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.86 %
Category 2
Products applied to the axillae
 0.14 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.86 %
Category 3
Products applied to the face/body using fingertips
 0.75 % Category 8
Products with significant anogenital exposure
 0.21 %
Category 4
Products related to fine fragrance
 2.5 % Category 9
Products with body and hand exposure, primarily rinse off
 2.7 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.64 % Category 10A
Household care products with mostly hand contact
 0.75 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.64 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 4.1 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.64 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.21 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.21 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.21 %
Category 6
Products with oral and lip exposure
 0.11 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction