1-(4-Isopropylphenyl)propan-1-one

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  • Identifiers

    CAS number
    27465-52-7

    Molecular formula
    C12H16O

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 75.3%
    Spicy 48.36%
    Woody 42.71%
    Green 41.75%
    Floral 37.24%
    Fresh 31.77%
    Mint 31.63%
    Balsamic 31.05%
    Fruity 29.44%
    Animal 29.33%

     

    Flavor
    Herbal 67.23%
    Spicy 51.45%
    Woody 46.55%
    Green 35.09%
    Spice 31.88%
    Herb 28.94%
    Fresh 27.57%
    Floral 27.47%
    Cumin 25.77%
    Minty 24.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.55 (weak base)

    Molecular weight
    176.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 105.31 ˚C est.

  • Synonyms

    • 1-(4-isopropylphenyl)propan-1-one
    • 27465-52-7
    • MFCD01095865
    • 4-isopropylpropiophenone
    • 1-[4-(propan-2-yl)phenyl]propan-1-one
    • 1-(4-propan-2-ylphenyl)propan-1-one
    • 1-(4-Isopropylphenyl)-1-propanone
    • 4-i-Propylpropiophenon
    • p-isopropyl-propiophenone
    • 4'-isopropylpropiophenone
    • 1-Propanone,1-[4-(1-methylethyl)phenyl]-
    • SCHEMBL3404341
    • DTXSID70396225
    • ALBB-002891
    • BBL014146
    • STK397558
    • AKOS000265108
    • 1-[4-(methylethyl)phenyl]propan-1-one
    • SY012218
    • VS-04202
    • 1-[4-(1-Methylethyl)phenyl]-1-propanone
    • CS-0186257
    • ST50723295
    • EN300-91491
    • D97558
    • 27465-52-7

  • Applications

    1-(4-Isopropylphenyl)propan-1-one (CAS 27465-52-7) is used primarily as a fragrance-related ketone and as a synthetic intermediate in organic synthesis; in perfumery and cosmetics, it functions as a fragrance ingredient and odorant in formulations; in household products, it serves as a scented additive for cleaners and air fresheners; in industrial manufacturing, it acts as a building block for aromatic intermediates used in pharmaceutical and agrochemical synthesis; in coatings and inks, it may be employed as an odorant additive or as a precursor for aroma-related compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 841.83
    methanol 900.8
    isopropanol 605.97
    water 0.93
    ethyl acetate 2344.52
    n-propanol 883.16
    acetone 3352.31
    n-butanol 792.13
    acetonitrile 2301.23
    DMF 5898.92
    toluene 1450.23
    isobutanol 687.11
    1,4-dioxane 2721.05
    methyl acetate 1991.15
    THF 3052.9
    2-butanone 2688.27
    n-pentanol 571.23
    sec-butanol 622.8
    n-hexane 355.13
    ethylene glycol 186.66
    NMP 4297.59
    cyclohexane 309.62
    DMSO 3675.59
    n-butyl acetate 1834.33
    n-octanol 207.29
    chloroform 6717.37
    n-propyl acetate 1343.75
    acetic acid 1216.76
    dichloromethane 6862.57
    cyclohexanone 3557.58
    propylene glycol 220.21
    isopropyl acetate 1431.86
    DMAc 3877.21
    2-ethoxyethanol 1028.89
    isopentanol 890.67
    n-heptane 53.9
    ethyl formate 1068.04
    1,2-dichloroethane 6223.13
    n-hexanol 644.9
    2-methoxyethanol 1689.83
    isobutyl acetate 793.34
    tetrachloromethane 1029.47
    n-pentyl acetate 773.56
    transcutol 6809.12
    n-heptanol 243.41
    ethylbenzene 814.88
    MIBK 1218.52
    2-propoxyethanol 1463.58
    tert-butanol 1091.59
    MTBE 2286.72
    2-butoxyethanol 650.52
    propionic acid 1055.64
    o-xylene 843.64
    formic acid 453.11
    diethyl ether 2348.65
    m-xylene 822.64
    p-xylene 894.43
    chlorobenzene 2924.05
    dimethyl carbonate 1118.67
    n-octane 18.77
    formamide 1276.7
    cyclopentanone 3726.05
    2-pentanone 2044.13
    anisole 2097.31
    cyclopentyl methyl ether 1968.89
    gamma-butyrolactone 3801.47
    1-methoxy-2-propanol 1279.17
    pyridine 3394.14
    3-pentanone 2154.57
    furfural 3304.88
    n-dodecane 11.44
    diethylene glycol 869.82
    diisopropyl ether 659.46
    tert-amyl alcohol 965.34
    acetylacetone 2430.17
    n-hexadecane 14.58
    acetophenone 1501.24
    methyl propionate 2096.86
    isopentyl acetate 1518.55
    trichloroethylene 10242.44
    n-nonanol 195.49
    cyclohexanol 814.84
    benzyl alcohol 954.96
    2-ethylhexanol 437.66
    isooctanol 226.79
    dipropyl ether 763.47
    1,2-dichlorobenzene 2612.36
    ethyl lactate 453.7
    propylene carbonate 1916.73
    n-methylformamide 2290.64
    2-pentanol 568.22
    n-pentane 178.73
    1-propoxy-2-propanol 958.1
    1-methoxy-2-propyl acetate 1687.33
    2-(2-methoxypropoxy) propanol 839.61
    mesitylene 535.36
    ε-caprolactone 2734.09
    p-cymene 275.33
    epichlorohydrin 5592.61
    1,1,1-trichloroethane 4767.28
    2-aminoethanol 441.82
    morpholine-4-carbaldehyde 3897.8
    sulfolane 5053.33
    2,2,4-trimethylpentane 114.02
    2-methyltetrahydrofuran 2606.78
    n-hexyl acetate 1088.41
    isooctane 89.5
    2-(2-butoxyethoxy)ethanol 1174.82
    sec-butyl acetate 966.12
    tert-butyl acetate 1750.58
    decalin 197.46
    glycerin 386.16
    diglyme 2646.89
    acrylic acid 1028.36
    isopropyl myristate 350.53
    n-butyric acid 1415.46
    acetyl acetate 1335.93
    di(2-ethylhexyl) phthalate 332.11
    ethyl propionate 1348.74
    nitromethane 3953.68
    1,2-diethoxyethane 2259.31
    benzonitrile 1527.34
    trioctyl phosphate 208.1
    1-bromopropane 2449.01
    gamma-valerolactone 4450.11
    n-decanol 129.62
    triethyl phosphate 440.34
    4-methyl-2-pentanol 409.44
    propionitrile 1734.2
    vinylene carbonate 1901.37
    1,1,2-trichlorotrifluoroethane 2837.25
    DMS 1462.79
    cumene 451.81
    2-octanol 164.02
    2-hexanone 1470.47
    octyl acetate 428.01
    limonene 427.67
    1,2-dimethoxyethane 2357.17
    ethyl orthosilicate 453.53
    tributyl phosphate 364.34
    diacetone alcohol 1385.34
    N,N-dimethylaniline 1129.99
    acrylonitrile 2379.04
    aniline 1689.46
    1,3-propanediol 660.62
    bromobenzene 3326.46
    dibromomethane 4156.71
    1,1,2,2-tetrachloroethane 7992.66
    2-methyl-cyclohexyl acetate 700.57
    tetrabutyl urea 435.4
    diisobutyl methanol 252.3
    2-phenylethanol 868.84
    styrene 1299.34
    dioctyl adipate 522.45
    dimethyl sulfate 1911.15
    ethyl butyrate 958.09
    methyl lactate 687.88
    butyl lactate 573.68
    diethyl carbonate 672.43
    propanediol butyl ether 599.66
    triethyl orthoformate 667.46
    p-tert-butyltoluene 279.71
    methyl 4-tert-butylbenzoate 750.74
    morpholine 3275.61
    tert-butylamine 874.27
    n-dodecanol 92.28
    dimethoxymethane 2646.52
    ethylene carbonate 1666.32
    cyrene 772.5
    2-ethoxyethyl acetate 1490.96
    2-ethylhexyl acetate 1278.21
    1,2,4-trichlorobenzene 3030.3
    4-methylpyridine 3729.12
    dibutyl ether 615.57
    2,6-dimethyl-4-heptanol 252.3
    DEF 3596.64
    dimethyl isosorbide 1598.86
    tetrachloroethylene 4680.65
    eugenol 770.87
    triacetin 965.49
    span 80 579.26
    1,4-butanediol 256.44
    1,1-dichloroethane 4599.71
    2-methyl-1-pentanol 714.46
    methyl formate 1435.54
    2-methyl-1-butanol 823.49
    n-decane 22.49
    butyronitrile 1380.23
    3,7-dimethyl-1-octanol 300.39
    1-chlorooctane 219.27
    1-chlorotetradecane 71.6
    n-nonane 22.29
    undecane 15.16
    tert-butylcyclohexane 190.56
    cyclooctane 94.96
    cyclopentanol 754.24
    tetrahydropyran 2740.36
    tert-amyl methyl ether 1544.82
    2,5,8-trioxanonane 1432.24
    1-hexene 946.83
    2-isopropoxyethanol 767.52
    2,2,2-trifluoroethanol 615.74
    methyl butyrate 1680.5

    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