2-Acetylcyclohexanone

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  • Identifiers

    CAS number
    874-23-7

    Molecular formula
    C8H12O2

    SMILES
    CC(=O)C1CCCCC1=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 78.11%
    Caramellic 61.1%
    Ketonic 47.08%
    Mint 44.43%
    Burnt 44.18%
    Woody 35.0%
    Herbal 31.44%
    Nutty 30.94%
    Berry 29.56%
    Sweet 27.19%

     

    Flavor
    Fruity 39.3%
    Caramel 38.38%
    Sweet 37.96%
    Minty 36.48%
    Buttery 27.21%
    Fatty 26.35%
    Maple 21.8%
    Fenugreek 21.7%
    Phenolic 21.19%
    Cotton candy 21.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.78 (neutral)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    230°C

    Flash point

    • 86.24 ˚C est.

  • Synonyms

    • 2-ACETYLCYCLOHEXANONE
    • 874-23-7
    • RefChem:84997
    • 212-858-5
    • 2-acetylcyclohexan-1-one
    • 2-Acetyl-1-cyclohexanone
    • Cyclohexanone, 2-acetyl-
    • 2-acetyl-cyclohexanone
    • MFCD00001633
    • .alpha.-Acetylcyclohexanone
    • 2-ACETYL CYCLOHEXANONE
    • 125117-37-5
    • DTXSID0049365
    • 1-acetyl-2-oxocyclohexane
    • alpha-Acetylcyclohexanone
    • 424823-02-9
    • Acetylcyclohexanone
    • acetyl cyclohexanone
    • 2-Acetylcyclohexanone; 2-Acetyl-1-cyclohexanone; 2-Acetylcyclohexanone; NSC 7713; alpha-Acetylcyclohexanone
    • NSC 7713
    • EINECS 212-858-5
    • AI3-19261
    • 2-acetyl-cyclohexan-1-one
    • SCHEMBL63339
    • 2-Acetylcyclohexanone, 97%
    • CHEMBL3187909
    • DTXCID7029324
    • NSC7713
    • CS-D1351
    • NSC-7713
    • Tox21_202874
    • SBB056190
    • STL264116
    • AKOS005206863
    • FA10212
    • PB43660
    • NCGC00260420-01
    • AC-22529
    • CAS-874-23-7
    • SY039226
    • DB-076946
    • DB-364545
    • A0881
    • NS00039192
    • ST50823683
    • EN300-11786
    • F068997
    • 874-23-7

  • Applications

    2-Acetylcyclohexanone (CAS 874-23-7) is primarily used as an odorant and fragrance intermediate in perfumery, contributing to specific aroma notes and serving as a building block in scent formulations. It is commonly employed as a fragrance ingredient in cosmetics and personal care products, and may be used as a scent additive in household formulations. It also functions as an intermediate in fragrance chemistry for the synthesis of other aroma compounds, and could see use in polymers/plastics and in coatings/inks to impart or preserve fragrance characteristics, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 732.38
    methanol 1218.85
    isopropanol 632.52
    water 10.92
    ethyl acetate 496.97
    n-propanol 628.65
    acetone 1017.07
    n-butanol 473.69
    acetonitrile 1103.25
    DMF 1219.99
    toluene 248.77
    isobutanol 456.08
    1,4-dioxane 1337.39
    methyl acetate 581.18
    THF 1460.48
    2-butanone 643.37
    n-pentanol 314.11
    sec-butanol 464.52
    n-hexane 59.04
    ethylene glycol 283.91
    NMP 1261.31
    cyclohexane 70.42
    DMSO 1332.17
    n-butyl acetate 239.6
    n-octanol 215.76
    chloroform 1941.75
    n-propyl acetate 258.88
    acetic acid 968.76
    dichloromethane 1534.77
    cyclohexanone 937.72
    propylene glycol 294.25
    isopropyl acetate 302.99
    DMAc 658.03
    2-ethoxyethanol 475.65
    isopentanol 370.36
    n-heptane 28.21
    ethyl formate 368.1
    1,2-dichloroethane 773.24
    n-hexanol 333.23
    2-methoxyethanol 851.7
    isobutyl acetate 172.45
    tetrachloromethane 220.73
    n-pentyl acetate 201.19
    transcutol 1416.14
    n-heptanol 166.33
    ethylbenzene 133.95
    MIBK 300.21
    2-propoxyethanol 574.27
    tert-butanol 589.9
    MTBE 373.08
    2-butoxyethanol 301.14
    propionic acid 705.45
    o-xylene 165.92
    formic acid 400.48
    diethyl ether 461.18
    m-xylene 188.75
    p-xylene 171.56
    chlorobenzene 465.45
    dimethyl carbonate 190.12
    n-octane 16.74
    formamide 434.18
    cyclopentanone 1244.17
    2-pentanone 521.3
    anisole 323.22
    cyclopentyl methyl ether 611.78
    gamma-butyrolactone 1427.81
    1-methoxy-2-propanol 654.68
    pyridine 806.19
    3-pentanone 354.49
    furfural 943.4
    n-dodecane 17.65
    diethylene glycol 544.14
    diisopropyl ether 126.61
    tert-amyl alcohol 410.72
    acetylacetone 626.42
    n-hexadecane 20.14
    acetophenone 285.73
    methyl propionate 393.1
    isopentyl acetate 222.58
    trichloroethylene 1484.9
    n-nonanol 165.73
    cyclohexanol 458.69
    benzyl alcohol 269.55
    2-ethylhexanol 167.73
    isooctanol 136.12
    dipropyl ether 168.82
    1,2-dichlorobenzene 376.79
    ethyl lactate 171.48
    propylene carbonate 590.56
    n-methylformamide 742.9
    2-pentanol 306.29
    n-pentane 49.41
    1-propoxy-2-propanol 332.07
    1-methoxy-2-propyl acetate 287.64
    2-(2-methoxypropoxy) propanol 284.1
    mesitylene 125.21
    ε-caprolactone 738.23
    p-cymene 82.49
    epichlorohydrin 1220.12
    1,1,1-trichloroethane 759.01
    2-aminoethanol 443.03
    morpholine-4-carbaldehyde 1002.31
    sulfolane 1481.96
    2,2,4-trimethylpentane 28.52
    2-methyltetrahydrofuran 926.12
    n-hexyl acetate 363.56
    isooctane 26.64
    2-(2-butoxyethoxy)ethanol 420.37
    sec-butyl acetate 184.06
    tert-butyl acetate 308.18
    decalin 45.63
    glycerin 433.99
    diglyme 702.65
    acrylic acid 686.32
    isopropyl myristate 124.78
    n-butyric acid 668.0
    acetyl acetate 352.77
    di(2-ethylhexyl) phthalate 122.46
    ethyl propionate 248.05
    nitromethane 1434.48
    1,2-diethoxyethane 325.4
    benzonitrile 463.36
    trioctyl phosphate 94.29
    1-bromopropane 473.74
    gamma-valerolactone 1254.9
    n-decanol 120.02
    triethyl phosphate 103.44
    4-methyl-2-pentanol 166.35
    propionitrile 628.78
    vinylene carbonate 523.88
    1,1,2-trichlorotrifluoroethane 672.61
    DMS 281.38
    cumene 103.5
    2-octanol 128.27
    2-hexanone 314.13
    octyl acetate 161.29
    limonene 116.3
    1,2-dimethoxyethane 671.13
    ethyl orthosilicate 97.36
    tributyl phosphate 112.7
    diacetone alcohol 389.17
    N,N-dimethylaniline 207.36
    acrylonitrile 851.12
    aniline 403.27
    1,3-propanediol 523.2
    bromobenzene 463.37
    dibromomethane 951.72
    1,1,2,2-tetrachloroethane 1129.45
    2-methyl-cyclohexyl acetate 167.46
    tetrabutyl urea 142.42
    diisobutyl methanol 100.78
    2-phenylethanol 252.2
    styrene 178.45
    dioctyl adipate 169.25
    dimethyl sulfate 358.02
    ethyl butyrate 183.41
    methyl lactate 274.45
    butyl lactate 179.86
    diethyl carbonate 125.17
    propanediol butyl ether 343.92
    triethyl orthoformate 127.17
    p-tert-butyltoluene 79.53
    methyl 4-tert-butylbenzoate 251.85
    morpholine 1204.68
    tert-butylamine 338.19
    n-dodecanol 89.33
    dimethoxymethane 541.45
    ethylene carbonate 417.0
    cyrene 262.34
    2-ethoxyethyl acetate 284.44
    2-ethylhexyl acetate 160.22
    1,2,4-trichlorobenzene 448.12
    4-methylpyridine 728.2
    dibutyl ether 179.02
    2,6-dimethyl-4-heptanol 100.78
    DEF 501.33
    dimethyl isosorbide 421.37
    tetrachloroethylene 699.84
    eugenol 250.72
    triacetin 293.93
    span 80 254.37
    1,4-butanediol 235.19
    1,1-dichloroethane 942.72
    2-methyl-1-pentanol 251.58
    methyl formate 536.64
    2-methyl-1-butanol 357.49
    n-decane 28.19
    butyronitrile 529.64
    3,7-dimethyl-1-octanol 170.66
    1-chlorooctane 132.67
    1-chlorotetradecane 50.13
    n-nonane 28.52
    undecane 21.84
    tert-butylcyclohexane 44.79
    cyclooctane 23.75
    cyclopentanol 639.29
    tetrahydropyran 890.51
    tert-amyl methyl ether 250.01
    2,5,8-trioxanonane 443.18
    1-hexene 196.21
    2-isopropoxyethanol 316.03
    2,2,2-trifluoroethanol 323.49
    methyl butyrate 327.51

    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