3-(p-Cumenyl)-2-methylpropionaldehyde

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  • Identifiers

    CAS number
    6658-48-6

    Molecular formula
    C14H20O

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 86.12%
    Green 86.11%
    Fresh 65.6%
    Aldehydic 58.52%
    Lily 57.05%
    Muguet 54.57%
    Melon 44.83%
    Sweet 44.18%
    Ozone 42.42%
    Hyacinth 36.14%

     

    Flavor
    Green 75.44%
    Floral 63.1%
    Fresh 52.58%
    Herbal 39.11%
    Sweet 37.31%
    Spicy 35.21%
    Leaf 35.03%
    Bitter 33.16%
    Oily 32.77%
    Waxy 30.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.02 (weak base)

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 131.9 ˚C est.

  • Synonyms

    • 6658-48-6
    • 3-(4-isobutylphenyl)-2-methylpropanal
    • 3-(p-Cumenyl)-2-methylpropionaldehyde
    • EINECS 229-695-0
    • 2-methyl-3-[4-(2-methylpropyl)phenyl]propanal
    • Benzenepropanal, alpha-methyl-4-(2-methylpropyl)-
    • DTXSID4052346
    • Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)-
    • P-ISOBUTYL-ALPHA-METHYLHYDROCINNAMALDEHYDE
    • cyclamen homoaldehyde
    • Z3NXK8Y7EX
    • alpha-methyl-4-(2-methylpropyl)benzenepropanal
    • SCHEMBL225582
    • DTXCID4030918
    • NS00012149
    • Benzenepropanal,a-methyl-4-(2-methylpropyl)-
    • alpha-methyl-3-(4-isobutyl-phenyl)-propionaldehyde
    • 229-695-0

  • Applications

    3-(p-Cumenyl)-2-methylpropionaldehyde (CAS 6658-48-6) is primarily used as an odorant and fragrance intermediate in perfumery, contributing warm, resinous or woody notes. It can act as a building block for cumyl-derived aroma compounds used in cosmetics and personal care formulations, and it may be evaluated for use in household products such as air fresheners as a fragrance ingredient. In industrial manufacturing, it serves as a chemical intermediate for the synthesis of aroma-related compounds and for certain specialty polymers or coatings that incorporate cumyl aryl structures. Its use is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2127.18
    methanol 1810.52
    isopropanol 1681.71
    water 0.24
    ethyl acetate 2904.73
    n-propanol 1544.99
    acetone 3234.53
    n-butanol 1582.99
    acetonitrile 1886.71
    DMF 2351.38
    toluene 629.16
    isobutanol 1092.77
    1,4-dioxane 2512.66
    methyl acetate 2079.76
    THF 2904.44
    2-butanone 2178.83
    n-pentanol 994.75
    sec-butanol 1050.68
    n-hexane 404.33
    ethylene glycol 196.19
    NMP 922.66
    cyclohexane 248.29
    DMSO 1218.6
    n-butyl acetate 1946.59
    n-octanol 321.4
    chloroform 2887.42
    n-propyl acetate 1329.83
    acetic acid 866.98
    dichloromethane 2747.6
    cyclohexanone 1928.69
    propylene glycol 359.53
    isopropyl acetate 1904.52
    DMAc 1524.48
    2-ethoxyethanol 1340.11
    isopentanol 1408.27
    n-heptane 107.59
    ethyl formate 1068.48
    1,2-dichloroethane 2528.79
    n-hexanol 1268.52
    2-methoxyethanol 2022.87
    isobutyl acetate 967.49
    tetrachloromethane 379.35
    n-pentyl acetate 588.47
    transcutol 3824.57
    n-heptanol 355.02
    ethylbenzene 409.39
    MIBK 1328.09
    2-propoxyethanol 2062.27
    tert-butanol 1954.7
    MTBE 2803.63
    2-butoxyethanol 706.92
    propionic acid 827.71
    o-xylene 347.81
    formic acid 186.03
    diethyl ether 3376.53
    m-xylene 468.91
    p-xylene 450.48
    chlorobenzene 825.75
    dimethyl carbonate 528.38
    n-octane 52.3
    formamide 338.39
    cyclopentanone 1835.12
    2-pentanone 2317.46
    anisole 866.4
    cyclopentyl methyl ether 1618.98
    gamma-butyrolactone 1622.66
    1-methoxy-2-propanol 1715.41
    pyridine 1192.45
    3-pentanone 1387.87
    furfural 1182.44
    n-dodecane 33.65
    diethylene glycol 1045.0
    diisopropyl ether 838.2
    tert-amyl alcohol 1094.0
    acetylacetone 1937.02
    n-hexadecane 39.37
    acetophenone 629.08
    methyl propionate 1673.97
    isopentyl acetate 1616.75
    trichloroethylene 3454.43
    n-nonanol 275.98
    cyclohexanol 862.06
    benzyl alcohol 572.97
    2-ethylhexanol 651.96
    isooctanol 315.17
    dipropyl ether 1148.78
    1,2-dichlorobenzene 684.07
    ethyl lactate 413.8
    propylene carbonate 1067.49
    n-methylformamide 931.73
    2-pentanol 1091.18
    n-pentane 221.62
    1-propoxy-2-propanol 1409.69
    1-methoxy-2-propyl acetate 1635.08
    2-(2-methoxypropoxy) propanol 562.59
    mesitylene 298.7
    ε-caprolactone 1459.53
    p-cymene 214.3
    epichlorohydrin 2694.29
    1,1,1-trichloroethane 2057.68
    2-aminoethanol 522.85
    morpholine-4-carbaldehyde 1478.5
    sulfolane 1305.07
    2,2,4-trimethylpentane 93.77
    2-methyltetrahydrofuran 2105.16
    n-hexyl acetate 814.16
    isooctane 112.6
    2-(2-butoxyethoxy)ethanol 925.77
    sec-butyl acetate 1015.1
    tert-butyl acetate 1771.83
    decalin 139.28
    glycerin 377.79
    diglyme 1755.27
    acrylic acid 501.22
    isopropyl myristate 300.64
    n-butyric acid 1769.46
    acetyl acetate 1182.56
    di(2-ethylhexyl) phthalate 219.06
    ethyl propionate 1109.91
    nitromethane 1655.7
    1,2-diethoxyethane 1821.88
    benzonitrile 669.97
    trioctyl phosphate 163.8
    1-bromopropane 1588.68
    gamma-valerolactone 2345.51
    n-decanol 203.54
    triethyl phosphate 294.47
    4-methyl-2-pentanol 665.86
    propionitrile 1346.11
    vinylene carbonate 846.24
    1,1,2-trichlorotrifluoroethane 1197.13
    DMS 655.49
    cumene 276.37
    2-octanol 228.23
    2-hexanone 1327.65
    octyl acetate 340.1
    limonene 349.08
    1,2-dimethoxyethane 2400.62
    ethyl orthosilicate 327.04
    tributyl phosphate 250.12
    diacetone alcohol 1354.97
    N,N-dimethylaniline 477.05
    acrylonitrile 1197.53
    aniline 699.65
    1,3-propanediol 909.57
    bromobenzene 878.61
    dibromomethane 1883.66
    1,1,2,2-tetrachloroethane 2702.04
    2-methyl-cyclohexyl acetate 590.6
    tetrabutyl urea 269.65
    diisobutyl methanol 365.78
    2-phenylethanol 633.81
    styrene 519.92
    dioctyl adipate 370.1
    dimethyl sulfate 528.05
    ethyl butyrate 1028.06
    methyl lactate 502.89
    butyl lactate 416.2
    diethyl carbonate 539.6
    propanediol butyl ether 536.87
    triethyl orthoformate 583.52
    p-tert-butyltoluene 222.32
    methyl 4-tert-butylbenzoate 421.0
    morpholine 2724.27
    tert-butylamine 1215.09
    n-dodecanol 155.49
    dimethoxymethane 2015.22
    ethylene carbonate 829.25
    cyrene 437.01
    2-ethoxyethyl acetate 910.14
    2-ethylhexyl acetate 1096.71
    1,2,4-trichlorobenzene 745.22
    4-methylpyridine 1445.36
    dibutyl ether 713.91
    2,6-dimethyl-4-heptanol 365.78
    DEF 1894.52
    dimethyl isosorbide 887.3
    tetrachloroethylene 1559.52
    eugenol 439.74
    triacetin 551.33
    span 80 447.15
    1,4-butanediol 390.09
    1,1-dichloroethane 2743.28
    2-methyl-1-pentanol 880.1
    methyl formate 720.62
    2-methyl-1-butanol 1029.03
    n-decane 63.04
    butyronitrile 1656.46
    3,7-dimethyl-1-octanol 397.74
    1-chlorooctane 293.18
    1-chlorotetradecane 103.48
    n-nonane 67.08
    undecane 44.63
    tert-butylcyclohexane 155.95
    cyclooctane 82.54
    cyclopentanol 703.64
    tetrahydropyran 2452.95
    tert-amyl methyl ether 1379.41
    2,5,8-trioxanonane 955.91
    1-hexene 1238.67
    2-isopropoxyethanol 1065.89
    2,2,2-trifluoroethanol 256.47
    methyl butyrate 1398.69

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.08 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.72 %
Category 2
Products applied to the axillae
 0.053 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.72 %
Category 3
Products applied to the face/body using fingertips
 0.8 % Category 8
Products with significant anogenital exposure
 0.083 %
Category 4
Products related to fine fragrance
 0.99 % Category 9
Products with body and hand exposure, primarily rinse off
 1.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.25 % Category 10A
Household care products with mostly hand contact
 1.9 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.25 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 5.4 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.25 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.083 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.083 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.083 %
Category 6
Products with oral and lip exposure
 0.08 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction