1-Cyclohexenylacetone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    768-50-3

    Molecular formula
    C9H14O

    SMILES
    CC(=O)CC1=CCCCC1

  • Odor profile

    Fruity 73.92%
    Floral 68.11%
    Green 54.04%
    Woody 45.64%
    Sweet 34.74%
    Jasmin 34.03%
    Rose 32.64%
    Fresh 31.94%
    Herbal 31.15%
    Waxy 30.31%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    208°C

    Flash point est.
    80.91 ˚C

  • Synonyms

    • 768-50-3
    • 2-Propanone, 1-(1-cyclohexen-1-yl)-
    • 1-Cyclohexenylacetone
    • 1-cyclohexenyl acetone
    • 1-Cyclohexenyl-2-propanone
    • 1-(cyclohexen-1-yl)propan-2-one
    • 1-(Cyclohexenyl)acetone
    • 59U4VC71C3
    • EINECS 212-195-1
    • NSC 22292
    • NSC-22292
    • 1-ACETONYLCYCLOHEXENE
    • UNII-59U4VC71C3
    • AI3-21374
    • DTXSID5061112
    • 1-(cyclohex-1-en-1-yl)propan-2-one
    • 1-(1-CYCLOHEXEN-1-YL)-2-PROPANONE
    • 2-PROPANONE, (1-CYCLOHEXEN-1-YL)-
    • NSC22292
    • 1-Acetonylcyclohexen-1
    • SCHEMBL722436
    • DTXCID4047919
    • 1-(1-Cyclohexen-1-yl)acetone #
    • 1-(1-cyclohexenyl)-propan-2-one
    • AAA76850
    • AKOS006274561
    • NS00037851
    • EN300-1657581

  • Applications

    1-Cyclohexenylacetone (CAS 768-50-3) is a versatile allylic ketone used as a synthetic building block to introduce lipophilic cyclohexyl motifs in pharmaceuticals, agrochemicals, and fine chemicals; the combination of an activated carbonyl and a ring alkene enables a wide range of transformations, including selective reductions/oxidations, alpha-alkylation, epoxidation or hydroboration–oxidation of the double bond, and allylic functionalization/isomerization; consequently, it is valuable for lead optimization, heterocycle construction and ring-fusion strategies, for preparing fragrance intermediates with woody/amber notes, and for producing intermediates/additives for polymers, as well as serving as a reference material in analytical workflows and mechanistic studies involving allylic ketones.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 674.68
    methanol 650.93
    isopropanol 686.13
    water 1.84
    ethyl acetate 331.38
    n-propanol 583.28
    acetone 593.82
    n-butanol 528.1
    acetonitrile 512.72
    DMF 777.13
    toluene 280.18
    isobutanol 432.08
    1,4-dioxane 828.26
    methyl acetate 346.5
    THF 839.34
    2-butanone 408.41
    n-pentanol 292.99
    sec-butanol 482.56
    n-hexane 132.04
    ethylene glycol 226.69
    NMP 509.62
    cyclohexane 218.34
    DMSO 754.3
    n-butyl acetate 284.72
    n-octanol 257.25
    chloroform 1564.73
    n-propyl acetate 165.85
    acetic acid 425.06
    dichloromethane 1032.29
    cyclohexanone 606.64
    propylene glycol 362.41
    isopropyl acetate 190.59
    DMAc 451.02
    2-ethoxyethanol 296.42
    isopentanol 382.45
    n-heptane 135.49
    ethyl formate 234.65
    1,2-dichloroethane 485.69
    n-hexanol 561.68
    2-methoxyethanol 581.22
    isobutyl acetate 126.41
    tetrachloromethane 237.15
    n-pentyl acetate 165.73
    transcutol 1097.64
    n-heptanol 214.11
    ethylbenzene 158.97
    MIBK 219.13
    2-propoxyethanol 574.66
    tert-butanol 661.11
    MTBE 336.9
    2-butoxyethanol 277.66
    propionic acid 421.95
    o-xylene 200.43
    formic acid 115.28
    diethyl ether 392.25
    m-xylene 221.12
    p-xylene 171.83
    chlorobenzene 316.07
    dimethyl carbonate 124.71
    n-octane 43.39
    formamide 147.56
    cyclopentanone 612.37
    2-pentanone 366.54
    anisole 276.46
    cyclopentyl methyl ether 402.67
    gamma-butyrolactone 571.45
    1-methoxy-2-propanol 516.51
    pyridine 543.45
    3-pentanone 265.4
    furfural 495.95
    n-dodecane 39.26
    diethylene glycol 446.47
    diisopropyl ether 123.87
    tert-amyl alcohol 401.64
    acetylacetone 332.81
    n-hexadecane 43.37
    acetophenone 220.22
    methyl propionate 273.93
    isopentyl acetate 246.34
    trichloroethylene 910.36
    n-nonanol 209.2
    cyclohexanol 503.65
    benzyl alcohol 227.09
    2-ethylhexanol 267.77
    isooctanol 161.13
    dipropyl ether 286.61
    1,2-dichlorobenzene 283.7
    ethyl lactate 138.39
    propylene carbonate 345.03
    n-methylformamide 332.44
    2-pentanol 362.51
    n-pentane 145.95
    1-propoxy-2-propanol 417.75
    1-methoxy-2-propyl acetate 286.73
    2-(2-methoxypropoxy) propanol 323.5
    mesitylene 142.11
    ε-caprolactone 442.17
    p-cymene 132.24
    epichlorohydrin 570.28
    1,1,1-trichloroethane 562.65
    2-aminoethanol 402.8
    morpholine-4-carbaldehyde 593.73
    sulfolane 649.1
    2,2,4-trimethylpentane 48.69
    2-methyltetrahydrofuran 576.45
    n-hexyl acetate 309.53
    isooctane 46.74
    2-(2-butoxyethoxy)ethanol 429.18
    sec-butyl acetate 125.94
    tert-butyl acetate 213.77
    decalin 77.82
    glycerin 371.27
    diglyme 600.78
    acrylic acid 346.94
    isopropyl myristate 146.45
    n-butyric acid 477.67
    acetyl acetate 193.95
    di(2-ethylhexyl) phthalate 141.98
    ethyl propionate 165.69
    nitromethane 505.49
    1,2-diethoxyethane 312.77
    benzonitrile 333.95
    trioctyl phosphate 112.4
    1-bromopropane 447.05
    gamma-valerolactone 681.92
    n-decanol 159.23
    triethyl phosphate 117.06
    4-methyl-2-pentanol 188.82
    propionitrile 443.22
    vinylene carbonate 316.39
    1,1,2-trichlorotrifluoroethane 444.49
    DMS 212.97
    cumene 121.79
    2-octanol 153.53
    2-hexanone 224.78
    octyl acetate 182.31
    limonene 208.49
    1,2-dimethoxyethane 460.43
    ethyl orthosilicate 113.23
    tributyl phosphate 124.62
    diacetone alcohol 305.13
    N,N-dimethylaniline 201.53
    acrylonitrile 471.93
    aniline 309.69
    1,3-propanediol 402.9
    bromobenzene 335.62
    dibromomethane 792.39
    1,1,2,2-tetrachloroethane 771.45
    2-methyl-cyclohexyl acetate 183.18
    tetrabutyl urea 166.8
    diisobutyl methanol 162.82
    2-phenylethanol 263.51
    styrene 193.46
    dioctyl adipate 201.91
    dimethyl sulfate 200.31
    ethyl butyrate 199.0
    methyl lactate 195.73
    butyl lactate 176.88
    diethyl carbonate 142.8
    propanediol butyl ether 353.07
    triethyl orthoformate 151.74
    p-tert-butyltoluene 131.3
    methyl 4-tert-butylbenzoate 261.75
    morpholine 835.43
    tert-butylamine 442.55
    n-dodecanol 128.88
    dimethoxymethane 377.29
    ethylene carbonate 269.84
    cyrene 229.19
    2-ethoxyethyl acetate 227.99
    2-ethylhexyl acetate 189.88
    1,2,4-trichlorobenzene 318.61
    4-methylpyridine 468.42
    dibutyl ether 227.6
    2,6-dimethyl-4-heptanol 162.82
    DEF 323.53
    dimethyl isosorbide 406.05
    tetrachloroethylene 461.59
    eugenol 244.58
    triacetin 294.08
    span 80 329.91
    1,4-butanediol 171.76
    1,1-dichloroethane 644.58
    2-methyl-1-pentanol 227.45
    methyl formate 243.48
    2-methyl-1-butanol 360.09
    n-decane 60.8
    butyronitrile 438.49
    3,7-dimethyl-1-octanol 226.09
    1-chlorooctane 172.55
    1-chlorotetradecane 79.67
    n-nonane 63.8
    undecane 46.76
    tert-butylcyclohexane 70.78
    cyclooctane 76.22
    cyclopentanol 489.31
    tetrahydropyran 750.06
    tert-amyl methyl ether 240.81
    2,5,8-trioxanonane 467.58
    1-hexene 275.3
    2-isopropoxyethanol 225.88
    2,2,2-trifluoroethanol 136.67
    methyl butyrate 209.56

    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

Botanical

Name CAS Botanical Proportion
Carrot seed (China) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.08%