2-(4-Methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl acetate

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  • Identifiers

    CAS number
    87578-93-6

    Molecular formula
    C12H18O3

    SMILES
    CC1=CCC(CC1=O)C(C)(C)OC(=O)C

  • Odor profile

    Fruity 65.74%
    Mint 58.55%
    Herbal 55.8%
    Woody 43.95%
    Sweet 42.7%
    Floral 38.22%
    Camphoreous 36.22%
    Tobacco 30.71%
    Fresh 29.59%
    Spicy 29.23%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.61 (weak base)

    Molecular weight
    210.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    272°C

    Flash point est.
    122.47 ˚C

  • Synonyms

    • 8-Acetoxycarvotanacetone
    • 87578-93-6
    • (R)-8-Acetoxycarvotanacetone
    • 2-Cyclohexen-1-one, 5-[1-(acetyloxy)-1-methylethyl]-2-methyl-
    • 2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl acetate
    • 8-Acetoxy-1-p-menthen-6-one
    • SCHEMBL8071213
    • DTXSID60337127
    • FTCAQUBXEGKQTD-UHFFFAOYSA-N
    • p-Menth-6-en-2-one, 8-hydroxy-, acetate
    • 2-(4-Methyl-5-oxocyclohex-3-enyl)propan-2-yl acetate

  • Applications

    The applications of 2-(4-Methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl acetate (CAS 87578-93-6) are primarily in fragrance: it is used as a specialty aroma chemical to build and fine‑tune accords in fine fragrances, personal care, and home care (soaps, detergents, air care, fabric care), where the ester–enone motif provides a balanced substantivity–diffusion profile and can act as a pro‑fragrance via hydrolysis to the corresponding alcohol; it is employed in microencapsulation/controlled release and polymer scenting, candles, and porous substrates; it serves as a synthetic intermediate leveraging the cyclohexenone–acetate framework (e.g., conjugate additions, selective redox, rearrangements, or cycloadditions) to access terpenoid backbones and high‑performance odorant derivatives; and it functions as a GC‑MS reference/standard for method development, retention index mapping, and QC across fragrance supply chains; use should follow IFRA and GHS/REACH guidance with substrate compatibility, stability, and exposure safety assessments.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 388.81
    methanol 542.36
    isopropanol 425.36
    water 6.77
    ethyl acetate 267.67
    n-propanol 306.95
    acetone 330.45
    n-butanol 283.95
    acetonitrile 353.4
    DMF 730.11
    toluene 238.97
    isobutanol 260.48
    1,4-dioxane 702.8
    methyl acetate 311.86
    THF 649.99
    2-butanone 286.81
    n-pentanol 184.74
    sec-butanol 320.28
    n-hexane 20.31
    ethylene glycol 98.3
    NMP 508.3
    cyclohexane 33.93
    DMSO 374.91
    n-butyl acetate 137.36
    n-octanol 105.51
    chloroform 1067.43
    n-propyl acetate 126.17
    acetic acid 298.71
    dichloromethane 754.54
    cyclohexanone 374.47
    propylene glycol 161.04
    isopropyl acetate 166.15
    DMAc 690.0
    2-ethoxyethanol 275.41
    isopentanol 246.74
    n-heptane 8.26
    ethyl formate 195.13
    1,2-dichloroethane 340.74
    n-hexanol 207.29
    2-methoxyethanol 493.67
    isobutyl acetate 92.19
    tetrachloromethane 106.1
    n-pentyl acetate 101.58
    transcutol 546.83
    n-heptanol 81.74
    ethylbenzene 125.88
    MIBK 146.17
    2-propoxyethanol 344.77
    tert-butanol 502.32
    MTBE 277.48
    2-butoxyethanol 152.45
    propionic acid 240.39
    o-xylene 144.75
    formic acid 185.84
    diethyl ether 221.9
    m-xylene 162.44
    p-xylene 171.84
    chlorobenzene 233.97
    dimethyl carbonate 125.06
    n-octane 5.92
    formamide 244.57
    cyclopentanone 362.15
    2-pentanone 206.58
    anisole 247.88
    cyclopentyl methyl ether 236.71
    gamma-butyrolactone 440.06
    1-methoxy-2-propanol 391.14
    pyridine 341.04
    3-pentanone 171.5
    furfural 417.27
    n-dodecane 7.02
    diethylene glycol 295.15
    diisopropyl ether 64.79
    tert-amyl alcohol 349.05
    acetylacetone 259.86
    n-hexadecane 8.15
    acetophenone 204.23
    methyl propionate 224.31
    isopentyl acetate 137.12
    trichloroethylene 698.88
    n-nonanol 92.16
    cyclohexanol 259.11
    benzyl alcohol 212.08
    2-ethylhexanol 96.14
    isooctanol 67.97
    dipropyl ether 74.62
    1,2-dichlorobenzene 206.38
    ethyl lactate 89.31
    propylene carbonate 268.24
    n-methylformamide 319.64
    2-pentanol 180.92
    n-pentane 18.0
    1-propoxy-2-propanol 199.95
    1-methoxy-2-propyl acetate 182.0
    2-(2-methoxypropoxy) propanol 174.1
    mesitylene 84.81
    ε-caprolactone 354.94
    p-cymene 54.19
    epichlorohydrin 499.77
    1,1,1-trichloroethane 383.5
    2-aminoethanol 201.59
    morpholine-4-carbaldehyde 576.74
    sulfolane 415.29
    2,2,4-trimethylpentane 14.1
    2-methyltetrahydrofuran 431.99
    n-hexyl acetate 171.95
    isooctane 9.83
    2-(2-butoxyethoxy)ethanol 224.42
    sec-butyl acetate 105.85
    tert-butyl acetate 174.39
    decalin 25.05
    glycerin 206.76
    diglyme 362.42
    acrylic acid 197.08
    isopropyl myristate 65.55
    n-butyric acid 265.53
    acetyl acetate 194.3
    di(2-ethylhexyl) phthalate 75.23
    ethyl propionate 130.9
    nitromethane 453.75
    1,2-diethoxyethane 180.97
    benzonitrile 239.13
    trioctyl phosphate 52.19
    1-bromopropane 229.22
    gamma-valerolactone 535.72
    n-decanol 67.8
    triethyl phosphate 69.12
    4-methyl-2-pentanol 113.58
    propionitrile 244.1
    vinylene carbonate 265.27
    1,1,2-trichlorotrifluoroethane 340.21
    DMS 164.92
    cumene 83.78
    2-octanol 65.55
    2-hexanone 146.66
    octyl acetate 84.82
    limonene 69.66
    1,2-dimethoxyethane 448.54
    ethyl orthosilicate 67.46
    tributyl phosphate 65.79
    diacetone alcohol 228.06
    N,N-dimethylaniline 178.7
    acrylonitrile 280.56
    aniline 266.81
    1,3-propanediol 296.51
    bromobenzene 233.89
    dibromomethane 467.96
    1,1,2,2-tetrachloroethane 606.73
    2-methyl-cyclohexyl acetate 106.05
    tetrabutyl urea 86.66
    diisobutyl methanol 54.03
    2-phenylethanol 190.75
    styrene 144.82
    dioctyl adipate 91.2
    dimethyl sulfate 206.21
    ethyl butyrate 102.4
    methyl lactate 139.86
    butyl lactate 94.45
    diethyl carbonate 86.61
    propanediol butyl ether 177.94
    triethyl orthoformate 79.46
    p-tert-butyltoluene 55.51
    methyl 4-tert-butylbenzoate 149.18
    morpholine 713.89
    tert-butylamine 282.85
    n-dodecanol 49.95
    dimethoxymethane 384.8
    ethylene carbonate 221.94
    cyrene 184.84
    2-ethoxyethyl acetate 156.59
    2-ethylhexyl acetate 112.07
    1,2,4-trichlorobenzene 256.53
    4-methylpyridine 454.74
    dibutyl ether 86.35
    2,6-dimethyl-4-heptanol 54.03
    DEF 253.23
    dimethyl isosorbide 268.76
    tetrachloroethylene 324.51
    eugenol 158.58
    triacetin 159.45
    span 80 136.72
    1,4-butanediol 120.85
    1,1-dichloroethane 457.99
    2-methyl-1-pentanol 178.55
    methyl formate 246.29
    2-methyl-1-butanol 237.1
    n-decane 11.47
    butyronitrile 259.68
    3,7-dimethyl-1-octanol 104.55
    1-chlorooctane 59.04
    1-chlorotetradecane 24.95
    n-nonane 10.32
    undecane 8.76
    tert-butylcyclohexane 23.66
    cyclooctane 9.66
    cyclopentanol 263.15
    tetrahydropyran 448.83
    tert-amyl methyl ether 188.28
    2,5,8-trioxanonane 260.3
    1-hexene 87.33
    2-isopropoxyethanol 191.52
    2,2,2-trifluoroethanol 145.47
    methyl butyrate 167.78

    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
Laurel leaf (USA) 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.01%