2-(4-Methyl-3-cyclohexen-1-yl)propenyl acetate

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  • Identifiers

    CAS number
    15593-88-1

    Molecular formula
    C12H18O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 80.44%
    Herbal 70.59%
    Sweet 66.47%
    Green 62.11%
    Spicy 55.51%
    Woody 51.26%
    Floral 49.43%
    Mint 44.91%
    Citrus 40.73%
    Fresh 39.22%

     

    Flavor
    Sweet 49.99%
    Fruity 46.23%
    Floral 43.02%
    Spicy 42.86%
    Herbal 40.15%
    Woody 36.37%
    Tropical 33.48%
    Mint 33.01%
    Minty 32.97%
    Fresh 29.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.99 (weak base)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 111.3 ˚C est.

  • Synonyms

    • 2-(4-Methyl-3-cyclohexen-1-yl)propenyl acetate
    • 15593-88-1
    • EINECS 239-672-7
    • RefChem:252613
    • 239-672-7
    • 2-(4-methylcyclohex-3-en-1-yl)prop-1-enyl acetate
    • DTXSID60935329
    • CKITWLJZALNJDV-UHFFFAOYSA-N
    • NS00051477
    • 15593-88-1

  • Applications

    2-(4-Methyl-3-cyclohexen-1-yl)propenyl acetate (CAS 15593-88-1) is primarily used in fragrance and flavor chemistry as an aroma ingredient and an intermediate; in perfumery it can act as a scent component and as a fixative to help extend fragrance longevity. In cosmetics and personal care, it is used as a fragrance ingredient in products such as lotions, creams, and perfumes, contributing green, herbal, or cyclohexene-derived notes depending on formulation. In household products, it serves as a scent additive in air fresheners, detergents, and cleaners, delivering a desirable odor profile. In industrial manufacturing, it is employed as an intermediate for the synthesis of additional aroma compounds and related monomers, enabling diversification of fragrance portfolios. It may also be evaluated for use in flavor formulations under appropriate regulatory and formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 488.27
    methanol 383.48
    isopropanol 410.74
    water 0.16
    ethyl acetate 463.51
    n-propanol 386.68
    acetone 393.27
    n-butanol 339.67
    acetonitrile 320.66
    DMF 477.3
    toluene 339.62
    isobutanol 256.67
    1,4-dioxane 940.22
    methyl acetate 418.19
    THF 770.84
    2-butanone 504.72
    n-pentanol 237.31
    sec-butanol 349.56
    n-hexane 21.66
    ethylene glycol 43.59
    NMP 300.54
    cyclohexane 34.0
    DMSO 356.65
    n-butyl acetate 270.36
    n-octanol 77.83
    chloroform 1266.93
    n-propyl acetate 217.14
    acetic acid 169.28
    dichloromethane 859.63
    cyclohexanone 454.07
    propylene glycol 133.26
    isopropyl acetate 248.91
    DMAc 523.25
    2-ethoxyethanol 308.3
    isopentanol 295.02
    n-heptane 8.12
    ethyl formate 163.02
    1,2-dichloroethane 480.51
    n-hexanol 259.9
    2-methoxyethanol 490.31
    isobutyl acetate 149.73
    tetrachloromethane 87.72
    n-pentyl acetate 125.67
    transcutol 1384.18
    n-heptanol 88.85
    ethylbenzene 146.96
    MIBK 197.41
    2-propoxyethanol 441.72
    tert-butanol 457.03
    MTBE 401.69
    2-butoxyethanol 191.86
    propionic acid 193.78
    o-xylene 167.84
    formic acid 52.99
    diethyl ether 414.28
    m-xylene 187.86
    p-xylene 175.94
    chlorobenzene 274.08
    dimethyl carbonate 99.18
    n-octane 3.94
    formamide 106.93
    cyclopentanone 447.37
    2-pentanone 333.29
    anisole 317.89
    cyclopentyl methyl ether 318.84
    gamma-butyrolactone 424.07
    1-methoxy-2-propanol 441.86
    pyridine 570.18
    3-pentanone 250.09
    furfural 387.0
    n-dodecane 3.95
    diethylene glycol 243.59
    diisopropyl ether 85.87
    tert-amyl alcohol 337.48
    acetylacetone 309.39
    n-hexadecane 4.77
    acetophenone 232.5
    methyl propionate 296.75
    isopentyl acetate 249.17
    trichloroethylene 959.61
    n-nonanol 73.14
    cyclohexanol 260.12
    benzyl alcohol 238.39
    2-ethylhexanol 128.75
    isooctanol 75.15
    dipropyl ether 118.14
    1,2-dichlorobenzene 236.33
    ethyl lactate 99.25
    propylene carbonate 229.87
    n-methylformamide 195.02
    2-pentanol 224.78
    n-pentane 17.09
    1-propoxy-2-propanol 291.16
    1-methoxy-2-propyl acetate 306.14
    2-(2-methoxypropoxy) propanol 241.13
    mesitylene 97.58
    ε-caprolactone 396.55
    p-cymene 64.84
    epichlorohydrin 678.37
    1,1,1-trichloroethane 439.4
    2-aminoethanol 151.05
    morpholine-4-carbaldehyde 486.08
    sulfolane 361.78
    2,2,4-trimethylpentane 14.44
    2-methyltetrahydrofuran 622.38
    n-hexyl acetate 193.71
    isooctane 11.0
    2-(2-butoxyethoxy)ethanol 340.0
    sec-butyl acetate 180.78
    tert-butyl acetate 252.17
    decalin 24.3
    glycerin 136.71
    diglyme 560.57
    acrylic acid 131.33
    isopropyl myristate 73.91
    n-butyric acid 285.77
    acetyl acetate 199.12
    di(2-ethylhexyl) phthalate 88.05
    ethyl propionate 193.51
    nitromethane 300.35
    1,2-diethoxyethane 375.56
    benzonitrile 259.86
    trioctyl phosphate 51.49
    1-bromopropane 306.27
    gamma-valerolactone 586.39
    n-decanol 54.88
    triethyl phosphate 80.73
    4-methyl-2-pentanol 128.15
    propionitrile 291.66
    vinylene carbonate 216.44
    1,1,2-trichlorotrifluoroethane 354.26
    DMS 191.19
    cumene 90.95
    2-octanol 57.03
    2-hexanone 226.98
    octyl acetate 94.33
    limonene 89.78
    1,2-dimethoxyethane 471.01
    ethyl orthosilicate 79.44
    tributyl phosphate 71.66
    diacetone alcohol 282.31
    N,N-dimethylaniline 183.5
    acrylonitrile 296.15
    aniline 368.17
    1,3-propanediol 236.22
    bromobenzene 303.6
    dibromomethane 563.93
    1,1,2,2-tetrachloroethane 816.8
    2-methyl-cyclohexyl acetate 148.3
    tetrabutyl urea 87.32
    diisobutyl methanol 66.46
    2-phenylethanol 223.0
    styrene 190.93
    dioctyl adipate 116.45
    dimethyl sulfate 134.46
    ethyl butyrate 166.42
    methyl lactate 124.27
    butyl lactate 118.0
    diethyl carbonate 115.68
    propanediol butyl ether 212.05
    triethyl orthoformate 113.42
    p-tert-butyltoluene 65.65
    methyl 4-tert-butylbenzoate 169.69
    morpholine 1069.51
    tert-butylamine 265.1
    n-dodecanol 40.69
    dimethoxymethane 313.59
    ethylene carbonate 182.65
    cyrene 184.62
    2-ethoxyethyl acetate 237.44
    2-ethylhexyl acetate 189.64
    1,2,4-trichlorobenzene 298.77
    4-methylpyridine 626.12
    dibutyl ether 105.98
    2,6-dimethyl-4-heptanol 66.46
    DEF 330.0
    dimethyl isosorbide 341.02
    tetrachloroethylene 413.83
    eugenol 176.24
    triacetin 212.78
    span 80 184.38
    1,4-butanediol 87.7
    1,1-dichloroethane 579.32
    2-methyl-1-pentanol 223.64
    methyl formate 113.54
    2-methyl-1-butanol 274.08
    n-decane 6.99
    butyronitrile 299.2
    3,7-dimethyl-1-octanol 105.71
    1-chlorooctane 47.91
    1-chlorotetradecane 18.46
    n-nonane 5.97
    undecane 5.11
    tert-butylcyclohexane 23.2
    cyclooctane 10.21
    cyclopentanol 220.28
    tetrahydropyran 735.09
    tert-amyl methyl ether 253.91
    2,5,8-trioxanonane 384.9
    1-hexene 128.13
    2-isopropoxyethanol 246.68
    2,2,2-trifluoroethanol 53.08
    methyl butyrate 243.53

    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