Ar-isopropylphenylacetaldehyde

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  • Identifiers

    CAS number
    433229-60-8

    Molecular formula
    C11H14O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 90.06%
    Woody 54.94%
    Floral 51.54%
    Fresh 49.89%
    Aldehydic 48.49%
    Cortex 45.77%
    Leafy 43.36%
    Herbal 38.56%
    Earthy 36.56%
    Muguet 32.74%

     

    Flavor
    Green 74.54%
    Floral 55.89%
    Fresh 51.33%
    Spicy 45.1%
    Herbal 45.01%
    Sweet 39.54%
    Bitter 38.92%
    Oily 35.83%
    Spice 34.36%
    Leaf 34.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.78 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 101.55 ˚C est.

  • Synonyms

    • ar-Isopropylphenylacetaldehyde
    • 2-(3-propan-2-ylphenyl)acetaldehyde
    • Benzeneacetaldehyde, ar-(1-methylethyl)-
    • EINECS 215-634-5
    • 433229-60-8
    • SCHEMBL453825
    • DTXSID90892310
    • PLBFBQRBPDVZMR-UHFFFAOYSA-N
    • 3-(1-Methylethyl)benzeneacetaldehyde
    • 2-[3-(propan-2-yl)phenyl]acetaldehyde
    • Benzeneacetaldehyde, 3-(1-methylethyl)-
    • DB-285343
    • NS00011994
    • EN300-1854678
    • 215-634-5

  • Applications

    Ar-isopropylphenylacetaldehyde (CAS 433229-60-8) is primarily used as a synthetic intermediate and fragrance ingredient in the aroma chemicals sector, serving as a building block for the synthesis of aroma compounds for perfumery and related cosmetic formulations; it may also be used as a fragrance component in personal care and household products. It can function as a precursor for additional fragrance derivatives in industrial chemical manufacture and may appear in coatings/inks formulations where a pleasant scent is desired. Potential applications include use as a precursor in polymer or specialty chemical synthesis contexts. Its use is subject to local regulations and formulation limits; refer to safety data and regulatory guidance when incorporating into products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 907.3
    methanol 829.39
    isopropanol 592.12
    water 0.32
    ethyl acetate 1857.41
    n-propanol 851.12
    acetone 3800.0
    n-butanol 616.37
    acetonitrile 1982.47
    DMF 3139.71
    toluene 738.96
    isobutanol 540.03
    1,4-dioxane 1836.3
    methyl acetate 2218.29
    THF 3195.9
    2-butanone 2984.82
    n-pentanol 417.04
    sec-butanol 572.06
    n-hexane 135.73
    ethylene glycol 171.88
    NMP 2863.0
    cyclohexane 122.45
    DMSO 4728.71
    n-butyl acetate 1083.74
    n-octanol 201.92
    chloroform 3604.32
    n-propyl acetate 1016.04
    acetic acid 635.64
    dichloromethane 4567.86
    cyclohexanone 2660.07
    propylene glycol 250.93
    isopropyl acetate 725.1
    DMAc 1604.79
    2-ethoxyethanol 721.84
    isopentanol 492.96
    n-heptane 45.6
    ethyl formate 1049.8
    1,2-dichloroethane 3992.68
    n-hexanol 492.83
    2-methoxyethanol 1168.55
    isobutyl acetate 475.74
    tetrachloromethane 504.93
    n-pentyl acetate 431.5
    transcutol 2876.83
    n-heptanol 180.01
    ethylbenzene 406.15
    MIBK 696.48
    2-propoxyethanol 951.35
    tert-butanol 646.16
    MTBE 920.17
    2-butoxyethanol 397.31
    propionic acid 927.17
    o-xylene 377.12
    formic acid 189.75
    diethyl ether 1340.06
    m-xylene 438.76
    p-xylene 429.22
    chlorobenzene 1224.87
    dimethyl carbonate 621.18
    n-octane 16.96
    formamide 583.57
    cyclopentanone 4073.41
    2-pentanone 1882.58
    anisole 899.47
    cyclopentyl methyl ether 1536.16
    gamma-butyrolactone 4050.37
    1-methoxy-2-propanol 906.21
    pyridine 1908.22
    3-pentanone 1611.29
    furfural 2298.3
    n-dodecane 10.18
    diethylene glycol 531.84
    diisopropyl ether 269.83
    tert-amyl alcohol 584.8
    acetylacetone 1632.71
    n-hexadecane 12.78
    acetophenone 768.55
    methyl propionate 1820.74
    isopentyl acetate 753.71
    trichloroethylene 5796.15
    n-nonanol 160.72
    cyclohexanol 594.92
    benzyl alcohol 495.22
    2-ethylhexanol 296.74
    isooctanol 147.36
    dipropyl ether 463.77
    1,2-dichlorobenzene 993.9
    ethyl lactate 296.47
    propylene carbonate 1465.87
    n-methylformamide 1813.17
    2-pentanol 402.85
    n-pentane 77.54
    1-propoxy-2-propanol 635.83
    1-methoxy-2-propyl acetate 866.94
    2-(2-methoxypropoxy) propanol 408.42
    mesitylene 229.2
    ε-caprolactone 1932.29
    p-cymene 160.89
    epichlorohydrin 4582.84
    1,1,1-trichloroethane 2436.22
    2-aminoethanol 367.16
    morpholine-4-carbaldehyde 1869.63
    sulfolane 4543.38
    2,2,4-trimethylpentane 36.39
    2-methyltetrahydrofuran 2597.79
    n-hexyl acetate 679.95
    isooctane 31.37
    2-(2-butoxyethoxy)ethanol 632.5
    sec-butyl acetate 523.2
    tert-butyl acetate 738.45
    decalin 79.4
    glycerin 280.74
    diglyme 1327.67
    acrylic acid 765.03
    isopropyl myristate 190.44
    n-butyric acid 972.88
    acetyl acetate 707.84
    di(2-ethylhexyl) phthalate 165.69
    ethyl propionate 926.63
    nitromethane 2700.0
    1,2-diethoxyethane 903.99
    benzonitrile 835.74
    trioctyl phosphate 123.67
    1-bromopropane 1553.27
    gamma-valerolactone 3299.31
    n-decanol 113.1
    triethyl phosphate 221.93
    4-methyl-2-pentanol 208.65
    propionitrile 1303.72
    vinylene carbonate 1151.85
    1,1,2-trichlorotrifluoroethane 1560.6
    DMS 704.85
    cumene 217.49
    2-octanol 129.99
    2-hexanone 1207.15
    octyl acetate 254.68
    limonene 238.03
    1,2-dimethoxyethane 1456.51
    ethyl orthosilicate 213.58
    tributyl phosphate 190.86
    diacetone alcohol 787.81
    N,N-dimethylaniline 456.32
    acrylonitrile 1755.87
    aniline 865.07
    1,3-propanediol 475.79
    bromobenzene 1327.39
    dibromomethane 2761.59
    1,1,2,2-tetrachloroethane 3638.46
    2-methyl-cyclohexyl acetate 396.41
    tetrabutyl urea 229.11
    diisobutyl methanol 158.44
    2-phenylethanol 479.67
    styrene 561.11
    dioctyl adipate 292.64
    dimethyl sulfate 1069.13
    ethyl butyrate 614.49
    methyl lactate 455.4
    butyl lactate 342.16
    diethyl carbonate 373.98
    propanediol butyl ether 415.49
    triethyl orthoformate 328.18
    p-tert-butyltoluene 151.3
    methyl 4-tert-butylbenzoate 393.59
    morpholine 2379.35
    tert-butylamine 393.17
    n-dodecanol 79.87
    dimethoxymethane 1458.96
    ethylene carbonate 929.74
    cyrene 442.61
    2-ethoxyethyl acetate 701.0
    2-ethylhexyl acetate 588.46
    1,2,4-trichlorobenzene 1129.04
    4-methylpyridine 1931.12
    dibutyl ether 386.41
    2,6-dimethyl-4-heptanol 158.44
    DEF 1676.48
    dimethyl isosorbide 855.41
    tetrachloroethylene 2045.86
    eugenol 384.54
    triacetin 535.88
    span 80 326.27
    1,4-butanediol 202.3
    1,1-dichloroethane 3015.08
    2-methyl-1-pentanol 370.47
    methyl formate 1370.59
    2-methyl-1-butanol 519.7
    n-decane 21.29
    butyronitrile 1038.57
    3,7-dimethyl-1-octanol 226.64
    1-chlorooctane 178.89
    1-chlorotetradecane 50.58
    n-nonane 22.65
    undecane 14.24
    tert-butylcyclohexane 73.22
    cyclooctane 45.14
    cyclopentanol 817.51
    tetrahydropyran 2069.64
    tert-amyl methyl ether 590.6
    2,5,8-trioxanonane 688.17
    1-hexene 509.94
    2-isopropoxyethanol 498.89
    2,2,2-trifluoroethanol 280.23
    methyl butyrate 1260.69

    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