2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester

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  • Identifiers

    CAS number
    59151-19-8

    Molecular formula
    C15H24O3

    SMILES
    CCCCCC1CC(=O)C=C(C1C(=O)OCC)C

  • Odor profile

    Fragrance
    Floral 86.15%
    Jasmin 64.16%
    Sweet 49.85%
    Green 42.51%
    Herbal 40.45%
    Fresh 40.32%
    Fruity 39.79%
    Lactonic 37.71%
    Rose 33.2%
    Spicy 32.41%

     

    Flavor
    Fruity 34.24%
    Herbal 26.81%
    Oily 26.65%
    Green 26.39%
    Floral 26.05%
    Fresh 25.86%
    Tropical 25.41%
    Bitter 23.01%
    Fatty 22.95%
    Waxy 22.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.72 (neutral)

    Molecular weight
    252.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 140.99 ˚C est.

  • Synonyms

    • 59151-19-8
    • Ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
    • Ethyl 2-methyl-6-pentyl-4-oxocyclohex-2-enecarboxylate
    • EINECS 261-629-6
    • 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester
    • DTXSID40866743
    • Ethyl 2-methyl-6-pentyl-4-oxocyclohex-2-ene-1-carboxylate
    • CALYXOL
    • autumn carboxylate
    • SCHEMBL669803
    • DTXCID70814999
    • ZJLHQWGPVWXKME-UHFFFAOYSA-N
    • STL560863
    • AKOS030505779
    • NS00012432
    • ethyl 3-methyl-5-pentyl-2-cyclohexenone-4-carboxylate
    • 261-629-6

  • Applications

    2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester (CAS 59151-19-8) is commonly used as an organic synthesis intermediate and may serve as a fragrance intermediate or odorant in perfumery and personal care products; it is often evaluated as a building block for the synthesis of specialty chemicals in industrial manufacturing; it can be used to prepare functional monomers or additives for polymers and coatings; and it can act as a precursor in resin formulations for coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2163.85
    methanol 3130.42
    isopropanol 1955.62
    water 0.6
    ethyl acetate 1471.07
    n-propanol 1704.01
    acetone 3058.63
    n-butanol 1655.03
    acetonitrile 1823.15
    DMF 2767.64
    toluene 803.7
    isobutanol 1300.08
    1,4-dioxane 1981.61
    methyl acetate 1089.25
    THF 3013.47
    2-butanone 1472.61
    n-pentanol 879.57
    sec-butanol 1256.73
    n-hexane 58.97
    ethylene glycol 245.99
    NMP 2383.14
    cyclohexane 162.93
    DMSO 2538.56
    n-butyl acetate 812.11
    n-octanol 247.94
    chloroform 4184.6
    n-propyl acetate 652.87
    acetic acid 2139.79
    dichloromethane 3802.62
    cyclohexanone 3020.83
    propylene glycol 471.86
    isopropyl acetate 899.01
    DMAc 1434.93
    2-ethoxyethanol 844.58
    isopentanol 1219.01
    n-heptane 18.81
    ethyl formate 909.97
    1,2-dichloroethane 2559.68
    n-hexanol 745.49
    2-methoxyethanol 1782.49
    isobutyl acetate 428.01
    tetrachloromethane 368.58
    n-pentyl acetate 507.83
    transcutol 2562.22
    n-heptanol 247.53
    ethylbenzene 293.57
    MIBK 802.82
    2-propoxyethanol 1067.98
    tert-butanol 1535.47
    MTBE 929.81
    2-butoxyethanol 474.42
    propionic acid 1156.33
    o-xylene 350.73
    formic acid 569.18
    diethyl ether 1198.18
    m-xylene 489.64
    p-xylene 343.06
    chlorobenzene 1328.38
    dimethyl carbonate 425.53
    n-octane 11.29
    formamide 804.96
    cyclopentanone 2735.34
    2-pentanone 1517.24
    anisole 551.21
    cyclopentyl methyl ether 1368.37
    gamma-butyrolactone 2926.01
    1-methoxy-2-propanol 1411.12
    pyridine 1912.7
    3-pentanone 874.03
    furfural 1867.57
    n-dodecane 11.67
    diethylene glycol 752.58
    diisopropyl ether 269.85
    tert-amyl alcohol 978.26
    acetylacetone 1412.85
    n-hexadecane 14.47
    acetophenone 539.46
    methyl propionate 994.27
    isopentyl acetate 678.2
    trichloroethylene 4309.39
    n-nonanol 211.5
    cyclohexanol 1574.53
    benzyl alcohol 631.35
    2-ethylhexanol 315.76
    isooctanol 198.31
    dipropyl ether 276.8
    1,2-dichlorobenzene 911.73
    ethyl lactate 292.06
    propylene carbonate 1388.49
    n-methylformamide 1395.66
    2-pentanol 982.06
    n-pentane 65.01
    1-propoxy-2-propanol 702.01
    1-methoxy-2-propyl acetate 720.81
    2-(2-methoxypropoxy) propanol 419.7
    mesitylene 250.84
    ε-caprolactone 1878.79
    p-cymene 143.27
    epichlorohydrin 2955.88
    1,1,1-trichloroethane 1974.66
    2-aminoethanol 689.37
    morpholine-4-carbaldehyde 1708.23
    sulfolane 2826.96
    2,2,4-trimethylpentane 37.2
    2-methyltetrahydrofuran 2100.45
    n-hexyl acetate 686.27
    isooctane 32.08
    2-(2-butoxyethoxy)ethanol 663.76
    sec-butyl acetate 437.47
    tert-butyl acetate 786.82
    decalin 64.06
    glycerin 550.26
    diglyme 1143.18
    acrylic acid 1000.13
    isopropyl myristate 204.14
    n-butyric acid 1893.35
    acetyl acetate 829.84
    di(2-ethylhexyl) phthalate 226.55
    ethyl propionate 509.53
    nitromethane 2647.27
    1,2-diethoxyethane 691.97
    benzonitrile 922.57
    trioctyl phosphate 159.85
    1-bromopropane 1221.84
    gamma-valerolactone 2732.11
    n-decanol 145.83
    triethyl phosphate 183.66
    4-methyl-2-pentanol 411.12
    propionitrile 1232.43
    vinylene carbonate 1219.0
    1,1,2-trichlorotrifluoroethane 1599.48
    DMS 533.27
    cumene 167.07
    2-octanol 184.12
    2-hexanone 729.71
    octyl acetate 282.22
    limonene 229.35
    1,2-dimethoxyethane 1213.87
    ethyl orthosilicate 174.18
    tributyl phosphate 214.53
    diacetone alcohol 881.27
    N,N-dimethylaniline 329.26
    acrylonitrile 1356.85
    aniline 1104.87
    1,3-propanediol 1108.91
    bromobenzene 1356.21
    dibromomethane 2392.25
    1,1,2,2-tetrachloroethane 3260.16
    2-methyl-cyclohexyl acetate 342.88
    tetrabutyl urea 274.0
    diisobutyl methanol 165.5
    2-phenylethanol 543.96
    styrene 420.04
    dioctyl adipate 307.94
    dimethyl sulfate 659.49
    ethyl butyrate 405.63
    methyl lactate 484.84
    butyl lactate 403.05
    diethyl carbonate 267.98
    propanediol butyl ether 546.17
    triethyl orthoformate 259.58
    p-tert-butyltoluene 138.73
    methyl 4-tert-butylbenzoate 417.35
    morpholine 2625.4
    tert-butylamine 778.78
    n-dodecanol 106.39
    dimethoxymethane 1352.03
    ethylene carbonate 1072.47
    cyrene 458.13
    2-ethoxyethyl acetate 679.18
    2-ethylhexyl acetate 483.52
    1,2,4-trichlorobenzene 1096.92
    4-methylpyridine 2039.85
    dibutyl ether 292.29
    2,6-dimethyl-4-heptanol 165.5
    DEF 1288.34
    dimethyl isosorbide 725.57
    tetrachloroethylene 1854.14
    eugenol 406.69
    triacetin 547.19
    span 80 423.99
    1,4-butanediol 401.46
    1,1-dichloroethane 2639.65
    2-methyl-1-pentanol 702.16
    methyl formate 1041.16
    2-methyl-1-butanol 1144.77
    n-decane 21.43
    butyronitrile 1488.2
    3,7-dimethyl-1-octanol 263.13
    1-chlorooctane 169.86
    1-chlorotetradecane 57.67
    n-nonane 19.63
    undecane 15.23
    tert-butylcyclohexane 51.72
    cyclooctane 32.73
    cyclopentanol 1512.93
    tetrahydropyran 2506.32
    tert-amyl methyl ether 547.68
    2,5,8-trioxanonane 649.15
    1-hexene 318.73
    2-isopropoxyethanol 537.65
    2,2,2-trifluoroethanol 550.99
    methyl butyrate 744.45

    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