4-Isopropylcyclohexanone

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  • Identifiers

    CAS number
    5432-85-9

    Molecular formula
    C9H16O

    SMILES
    CC(C)C1CCC(=O)CC1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 77.02%
    Mint 73.3%
    Herbal 70.38%
    Camphoreous 61.96%
    Fresh 58.07%
    Green 48.32%
    Cooling 46.48%
    Spicy 41.89%
    Earthy 36.5%
    Pine 34.27%

     

    Flavor
    Herbal 52.4%
    Minty 51.56%
    Spice 36.84%
    Woody 34.48%
    Fresh 32.23%
    Mint 31.12%
    Herb 29.07%
    Camphoraceous 25.95%
    Medicinal 25.34%
    Sweet 24.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.49 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point

    • 70.12 ˚C est.

  • Synonyms

    • 4-Isopropylcyclohexanone
    • 5432-85-9
    • Cyclohexanone, 4-(1-methylethyl)-
    • AI3-39194
    • EINECS 226-592-2
    • NSC 21125
    • DTXSID4063878
    • RefChem:99506
    • DTXCID1041683
    • FPKISACHVIIMRA-UHFFFAOYSA-N
    • MFCD00043479
    • 4-propan-2-ylcyclohexan-1-one
    • 4-Isopropylcyclohexan-1-one
    • Cyclohexanone, 4-isopropyl-
    • 4-(propan-2-yl)cyclohexan-1-one
    • 4-iso-Propylcyclohexanone
    • 4-isopropyl-cyclohexanone
    • NSC-21125
    • 4-(methylethyl)cyclohexan-1-one
    • NSC21125
    • 4-isopropylcylcohexanone
    • 4-isopropyl cyclohexanone
    • 4-isopropylcyclo-hexanone
    • 4-iso-propyl-cyclohexanone
    • JA8S3CU9U5
    • SCHEMBL852532
    • 4-Isopropylcyclohexanone, 96%
    • SCHEMBL4941703
    • 4-Isopropylcyclohexanone, AldrichCPR
    • SBB007754
    • AKOS008901267
    • CS-W011030
    • EBC-618210
    • AS-31101
    • SY029297
    • NS00033047
    • ST50823720
    • EN300-61099
    • F223316
    • Z959274754
    • 5432-85-9

  • Applications

    4-Isopropylcyclohexanone (CAS 5432-85-9) is mainly used as an intermediate in fragrance chemistry, serving as a precursor to a range of aroma compounds and enabling synthesis of perfumery materials. It is often evaluated for use in cosmetics and personal care as a fragrance ingredient or aroma-building block. In industrial manufacturing, it can function as a chemical building block for specialty intermediates used in coatings and inks, and in the polymers/plastics sector as a starting material for derivative compounds. Additionally, it may be encountered in cleaning formulations as a fragrance component or processing aid, with usage typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 698.25
    methanol 525.8
    isopropanol 525.03
    water 0.73
    ethyl acetate 1508.43
    n-propanol 516.6
    acetone 1590.72
    n-butanol 549.75
    acetonitrile 1135.8
    DMF 871.61
    toluene 486.32
    isobutanol 363.14
    1,4-dioxane 2074.04
    methyl acetate 1082.04
    THF 3001.17
    2-butanone 1103.03
    n-pentanol 256.19
    sec-butanol 358.33
    n-hexane 85.55
    ethylene glycol 91.4
    NMP 1181.92
    cyclohexane 222.67
    DMSO 931.5
    n-butyl acetate 1007.3
    n-octanol 198.58
    chloroform 3137.44
    n-propyl acetate 566.26
    acetic acid 699.59
    dichloromethane 3007.22
    cyclohexanone 1682.85
    propylene glycol 132.25
    isopropyl acetate 811.65
    DMAc 603.27
    2-ethoxyethanol 379.99
    isopentanol 455.93
    n-heptane 81.21
    ethyl formate 649.69
    1,2-dichloroethane 1687.8
    n-hexanol 454.53
    2-methoxyethanol 698.54
    isobutyl acetate 339.16
    tetrachloromethane 463.05
    n-pentyl acetate 490.06
    transcutol 2907.2
    n-heptanol 186.9
    ethylbenzene 208.27
    MIBK 472.18
    2-propoxyethanol 725.69
    tert-butanol 577.52
    MTBE 686.42
    2-butoxyethanol 395.87
    propionic acid 561.92
    o-xylene 253.77
    formic acid 170.16
    diethyl ether 1145.66
    m-xylene 292.18
    p-xylene 267.69
    chlorobenzene 926.3
    dimethyl carbonate 278.55
    n-octane 28.05
    formamide 335.38
    cyclopentanone 2163.85
    2-pentanone 967.53
    anisole 489.67
    cyclopentyl methyl ether 1020.89
    gamma-butyrolactone 2390.06
    1-methoxy-2-propanol 564.1
    pyridine 1343.12
    3-pentanone 695.11
    furfural 1469.43
    n-dodecane 23.1
    diethylene glycol 440.66
    diisopropyl ether 287.02
    tert-amyl alcohol 389.6
    acetylacetone 1188.74
    n-hexadecane 27.98
    acetophenone 397.51
    methyl propionate 780.76
    isopentyl acetate 773.52
    trichloroethylene 3036.82
    n-nonanol 182.09
    cyclohexanol 554.04
    benzyl alcohol 289.25
    2-ethylhexanol 284.02
    isooctanol 154.78
    dipropyl ether 499.61
    1,2-dichlorobenzene 734.88
    ethyl lactate 175.98
    propylene carbonate 1098.64
    n-methylformamide 522.02
    2-pentanol 335.89
    n-pentane 90.42
    1-propoxy-2-propanol 571.3
    1-methoxy-2-propyl acetate 882.88
    2-(2-methoxypropoxy) propanol 464.52
    mesitylene 182.04
    ε-caprolactone 1400.39
    p-cymene 168.48
    epichlorohydrin 2212.45
    1,1,1-trichloroethane 1665.0
    2-aminoethanol 211.78
    morpholine-4-carbaldehyde 1169.81
    sulfolane 1814.46
    2,2,4-trimethylpentane 40.61
    2-methyltetrahydrofuran 1925.43
    n-hexyl acetate 700.99
    isooctane 37.68
    2-(2-butoxyethoxy)ethanol 714.06
    sec-butyl acetate 394.96
    tert-butyl acetate 773.87
    decalin 78.43
    glycerin 170.91
    diglyme 1299.76
    acrylic acid 456.65
    isopropyl myristate 254.08
    n-butyric acid 938.6
    acetyl acetate 897.73
    di(2-ethylhexyl) phthalate 210.13
    ethyl propionate 504.07
    nitromethane 1437.17
    1,2-diethoxyethane 1102.66
    benzonitrile 619.65
    trioctyl phosphate 153.94
    1-bromopropane 864.02
    gamma-valerolactone 2060.17
    n-decanol 133.13
    triethyl phosphate 207.32
    4-methyl-2-pentanol 199.09
    propionitrile 702.77
    vinylene carbonate 870.64
    1,1,2-trichlorotrifluoroethane 879.02
    DMS 570.54
    cumene 134.53
    2-octanol 131.84
    2-hexanone 501.06
    octyl acetate 307.29
    limonene 270.57
    1,2-dimethoxyethane 863.89
    ethyl orthosilicate 205.29
    tributyl phosphate 226.91
    diacetone alcohol 569.9
    N,N-dimethylaniline 233.52
    acrylonitrile 745.26
    aniline 534.1
    1,3-propanediol 375.24
    bromobenzene 1003.19
    dibromomethane 1902.84
    1,1,2,2-tetrachloroethane 1999.76
    2-methyl-cyclohexyl acetate 411.61
    tetrabutyl urea 233.23
    diisobutyl methanol 178.92
    2-phenylethanol 382.75
    styrene 276.31
    dioctyl adipate 352.59
    dimethyl sulfate 391.52
    ethyl butyrate 635.9
    methyl lactate 239.56
    butyl lactate 318.84
    diethyl carbonate 372.61
    propanediol butyl ether 347.67
    triethyl orthoformate 378.8
    p-tert-butyltoluene 168.28
    methyl 4-tert-butylbenzoate 378.55
    morpholine 1929.1
    tert-butylamine 399.74
    n-dodecanol 100.91
    dimethoxymethane 705.36
    ethylene carbonate 764.36
    cyrene 312.71
    2-ethoxyethyl acetate 786.29
    2-ethylhexyl acetate 601.93
    1,2,4-trichlorobenzene 830.32
    4-methylpyridine 1136.64
    dibutyl ether 439.75
    2,6-dimethyl-4-heptanol 178.92
    DEF 765.28
    dimethyl isosorbide 862.3
    tetrachloroethylene 1322.63
    eugenol 334.36
    triacetin 630.01
    span 80 412.0
    1,4-butanediol 107.88
    1,1-dichloroethane 1669.01
    2-methyl-1-pentanol 237.9
    methyl formate 444.97
    2-methyl-1-butanol 348.93
    n-decane 40.96
    butyronitrile 802.71
    3,7-dimethyl-1-octanol 230.94
    1-chlorooctane 193.03
    1-chlorotetradecane 74.11
    n-nonane 40.94
    undecane 29.46
    tert-butylcyclohexane 65.36
    cyclooctane 65.23
    cyclopentanol 635.45
    tetrahydropyran 1983.56
    tert-amyl methyl ether 431.79
    2,5,8-trioxanonane 808.32
    1-hexene 261.92
    2-isopropoxyethanol 299.79
    2,2,2-trifluoroethanol 259.5
    methyl butyrate 614.23

    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