4-Isopropyl phenylacetaldehyde

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  • Identifiers

    CAS number
    4395-92-0

    Molecular formula
    C11H14O

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

  • Odor profile

    Fragrance
    Green 92.89%
    Woody 56.42%
    Fresh 55.3%
    Aldehydic 50.58%
    Floral 50.31%
    Cortex 49.29%
    Herbal 47.36%
    Leafy 46.99%
    Earthy 39.99%
    Spicy 35.71%

     

    Flavor
    Green 84.12%
    Fresh 58.15%
    Floral 52.5%
    Herbal 50.09%
    Spicy 47.39%
    Bitter 41.79%
    Leaf 39.13%
    Sweet 38.78%
    Oily 36.06%
    Spice 34.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.12 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 230.00 to 243.00 °C. @ 760.00 mm Hg

    Flash point

    • 105.2 ˚C est.

    Solubility expt.

    • very slightly
    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 4395-92-0
    • 4-ISOPROPYLPHENYLACETALDEHYDE
    • (4-Isopropylphenyl)acetaldehyde
    • Cortexal
    • Cumyl acetaldehyde
    • Cuminic acetaldehyde
    • Cumylacetaldehyde
    • Benzeneacetaldehyde, 4-(1-methylethyl)-
    • p-Isopropylphenylacetaldehyde
    • 4-Isopropyl phenylacetaldehyde
    • P-Cymene-7-carboxaldehyde
    • 2-(4-propan-2-ylphenyl)acetaldehyde
    • 2-[4-(propan-2-yl)phenyl]acetaldehyde
    • 4-(1-Methylethyl)benzeneacetaldehyde
    • FEMA No. 2954
    • Isopropylphenylacetaldehyde, p-
    • Acetaldehyde, (p-isopropylphenyl)-
    • UNII-5KQW56W3YJ
    • EINECS 224-522-5
    • 5KQW56W3YJ
    • Homocuminic aldehyde
    • p-isopropyl phenylacetaldehyde
    • BRN 2246668
    • HOMOCUMINICALDEHYDE50
    • para-isopropyl phenylacetaldehyde
    • 4-07-00-00747 (Beilstein Handbook Reference)
    • P-ISOPROPYLPHENYLACETALDEHYDE [FHFI]
    • cumin acetaldehyde
    • 2-(4-(propan-2-yl)phenyl)acetaldehyde
    • HOMO CUMINIC ALDEHYDE 50
    • p-i-propylphenylacetaldehyde
    • SCHEMBL407257
    • (p-isopropylphenyl)-Acetaldehyde
    • DTXCID0030669
    • FEMA 2954
    • p-Cymene-7-carboxaldehyde, 8CI
    • 2-(4-isopropylphenyl)acetaldehyde
    • CHEBI:197242
    • EAA39592
    • 4-(1-Methylethyl)-Benzeneacetaldehyde
    • 4-(1-Methylethyl)benzene acetaldehyde
    • AKOS012096509
    • BS-16841
    • 4-(1-Methylethyl)benzeneacetaldehyde, 9CI
    • DB-340326
    • NS00012767
    • EN300-120468
    • A1-15692
    • Q27262490
    • Z1020792742
    • 224-522-5

  • Applications

    4-Isopropyl phenylacetaldehyde (CAS 4395-92-0) is primarily used as an aroma chemical and as an intermediate in fragrance synthesis. In perfumery and cosmetics, it functions as an odorant and a building block for developing warm, floral notes. In the food and flavor sector, it may be evaluated as a flavor precursor or aroma ingredient to develop or supplement aroma note profiles, subject to regulatory limits. In household products and cleaners, it may appear as a fragrance additive to impart specific scent profiles. In industrial manufacturing, it is used as a building block for synthesizing substituted aromatic aldehydes employed in fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 897.82
    methanol 857.17
    isopropanol 493.24
    water 0.36
    ethyl acetate 1238.49
    n-propanol 675.81
    acetone 1017.06
    n-butanol 541.11
    acetonitrile 1213.74
    DMF 965.78
    toluene 466.04
    isobutanol 348.58
    1,4-dioxane 1890.85
    methyl acetate 994.18
    THF 1166.23
    2-butanone 908.98
    n-pentanol 344.35
    sec-butanol 320.77
    n-hexane 75.74
    ethylene glycol 99.57
    NMP 484.22
    cyclohexane 97.51
    DMSO 721.42
    n-butyl acetate 617.58
    n-octanol 80.51
    chloroform 1925.1
    n-propyl acetate 516.62
    acetic acid 424.8
    dichloromethane 1668.27
    cyclohexanone 932.04
    propylene glycol 163.97
    isopropyl acetate 473.27
    DMAc 581.87
    2-ethoxyethanol 507.57
    isopentanol 350.86
    n-heptane 33.24
    ethyl formate 456.66
    1,2-dichloroethane 1414.67
    n-hexanol 443.65
    2-methoxyethanol 875.71
    isobutyl acetate 260.82
    tetrachloromethane 216.91
    n-pentyl acetate 171.09
    transcutol 1722.04
    n-heptanol 103.82
    ethylbenzene 191.99
    MIBK 291.88
    2-propoxyethanol 710.88
    tert-butanol 538.07
    MTBE 593.0
    2-butoxyethanol 221.95
    propionic acid 444.26
    o-xylene 185.47
    formic acid 129.04
    diethyl ether 1178.36
    m-xylene 236.88
    p-xylene 203.4
    chlorobenzene 537.64
    dimethyl carbonate 207.04
    n-octane 10.83
    formamide 287.89
    cyclopentanone 881.82
    2-pentanone 678.94
    anisole 421.98
    cyclopentyl methyl ether 563.9
    gamma-butyrolactone 908.25
    1-methoxy-2-propanol 535.99
    pyridine 1161.09
    3-pentanone 536.55
    furfural 759.9
    n-dodecane 7.38
    diethylene glycol 386.99
    diisopropyl ether 181.61
    tert-amyl alcohol 305.28
    acetylacetone 538.59
    n-hexadecane 8.86
    acetophenone 293.67
    methyl propionate 745.2
    isopentyl acetate 453.86
    trichloroethylene 2014.22
    n-nonanol 76.56
    cyclohexanol 359.38
    benzyl alcohol 293.97
    2-ethylhexanol 206.64
    isooctanol 84.39
    dipropyl ether 381.29
    1,2-dichlorobenzene 396.49
    ethyl lactate 143.95
    propylene carbonate 469.28
    n-methylformamide 590.97
    2-pentanol 286.61
    n-pentane 48.35
    1-propoxy-2-propanol 426.12
    1-methoxy-2-propyl acetate 541.05
    2-(2-methoxypropoxy) propanol 234.47
    mesitylene 124.9
    ε-caprolactone 716.03
    p-cymene 86.71
    epichlorohydrin 1309.51
    1,1,1-trichloroethane 994.71
    2-aminoethanol 271.42
    morpholine-4-carbaldehyde 810.44
    sulfolane 725.7
    2,2,4-trimethylpentane 21.13
    2-methyltetrahydrofuran 883.69
    n-hexyl acetate 223.48
    isooctane 19.92
    2-(2-butoxyethoxy)ethanol 328.91
    sec-butyl acetate 289.31
    tert-butyl acetate 425.54
    decalin 44.44
    glycerin 175.83
    diglyme 739.49
    acrylic acid 308.02
    isopropyl myristate 89.62
    n-butyric acid 638.08
    acetyl acetate 421.84
    di(2-ethylhexyl) phthalate 85.05
    ethyl propionate 455.58
    nitromethane 906.03
    1,2-diethoxyethane 705.31
    benzonitrile 419.91
    trioctyl phosphate 54.24
    1-bromopropane 717.85
    gamma-valerolactone 1130.51
    n-decanol 58.06
    triethyl phosphate 124.04
    4-methyl-2-pentanol 140.69
    propionitrile 776.7
    vinylene carbonate 433.49
    1,1,2-trichlorotrifluoroethane 596.77
    DMS 261.78
    cumene 106.44
    2-octanol 58.67
    2-hexanone 473.98
    octyl acetate 103.68
    limonene 131.61
    1,2-dimethoxyethane 991.85
    ethyl orthosilicate 130.44
    tributyl phosphate 81.88
    diacetone alcohol 363.59
    N,N-dimethylaniline 207.0
    acrylonitrile 799.16
    aniline 508.85
    1,3-propanediol 406.35
    bromobenzene 551.15
    dibromomethane 1107.41
    1,1,2,2-tetrachloroethane 1444.56
    2-methyl-cyclohexyl acetate 212.28
    tetrabutyl urea 96.72
    diisobutyl methanol 110.08
    2-phenylethanol 299.39
    styrene 283.16
    dioctyl adipate 134.79
    dimethyl sulfate 228.51
    ethyl butyrate 381.08
    methyl lactate 175.22
    butyl lactate 137.31
    diethyl carbonate 240.26
    propanediol butyl ether 154.53
    triethyl orthoformate 223.16
    p-tert-butyltoluene 86.84
    methyl 4-tert-butylbenzoate 172.31
    morpholine 2017.02
    tert-butylamine 327.02
    n-dodecanol 44.98
    dimethoxymethane 678.19
    ethylene carbonate 409.07
    cyrene 189.74
    2-ethoxyethyl acetate 330.67
    2-ethylhexyl acetate 348.26
    1,2,4-trichlorobenzene 427.75
    4-methylpyridine 978.91
    dibutyl ether 207.15
    2,6-dimethyl-4-heptanol 110.08
    DEF 714.34
    dimethyl isosorbide 422.88
    tetrachloroethylene 906.35
    eugenol 178.09
    triacetin 219.92
    span 80 171.5
    1,4-butanediol 133.1
    1,1-dichloroethane 1304.93
    2-methyl-1-pentanol 241.75
    methyl formate 360.59
    2-methyl-1-butanol 289.27
    n-decane 13.5
    butyronitrile 675.21
    3,7-dimethyl-1-octanol 109.68
    1-chlorooctane 77.6
    1-chlorotetradecane 28.27
    n-nonane 13.42
    undecane 9.53
    tert-butylcyclohexane 42.22
    cyclooctane 27.53
    cyclopentanol 306.13
    tetrahydropyran 1485.11
    tert-amyl methyl ether 319.95
    2,5,8-trioxanonane 429.09
    1-hexene 362.69
    2-isopropoxyethanol 313.34
    2,2,2-trifluoroethanol 121.22
    methyl butyrate 581.98

    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