5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate

  • Identifiers

    Molecular formula
    C15H28O2

    SMILES
    CCCCC(=O)OC1CC(CCC1C(C)C)C

  • Odor profile

    Fragrance
    Fruity 86.31%
    Herbal 85.03%
    Mint 77.3%
    Sweet 66.72%
    Floral 53.95%
    Cooling 50.25%
    Fresh 43.05%
    Woody 39.34%
    Balsamic 38.93%
    Camphoreous 33.36%

     

    Flavor
    Fruity 48.64%
    Herbal 44.3%
    Green 37.83%
    Tropical 34.34%
    Minty 33.54%
    Oily 28.28%
    Herb 27.16%
    Sweet 26.31%
    Fruit 24.83%
    Fresh 24.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.75 (neutral)

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    277°C

    Flash point

    • 112.65 ˚C est.

  • Synonyms

    • Menthyl valerate
    • (1.alpha.,2.beta.,5.alpha.)-3-Methylbutanoic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
    • Menthylvalerianat
    • 5-methyl-2-(propan-2-yl)cyclohexyl pentanoate
    • NSC167384
    • MENTHYL PENTANOATE
    • SCHEMBL669485
    • DTXSID10275767
    • LCJPVSLESAPYMK-UHFFFAOYSA-N
    • NSC-167384
    • 2-Isopropyl-5-methylcyclohexyl pentanoate #
    • NS00041245
  • Applications

    5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate is a cyclohexyl ester primarily used in fragrance applications. Real-world uses include: serving as a fragrance ingredient in perfumes and personal care products, and may function as a fixative to extend scent; incorporated into cosmetics such as creams, body washes, and shampoos to provide fragrance; used in household cleaning products to impart a pleasant aroma; can be evaluated as a fragrance additive for coatings, paints, and adhesives to deliver a lasting, subtle aroma in formulated materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4109.71
    methanol 3270.4
    isopropanol 4311.58
    water 0.63
    ethyl acetate 3177.72
    n-propanol 3289.59
    acetone 3888.9
    n-butanol 3170.64
    acetonitrile 2313.01
    DMF 2473.95
    toluene 1633.88
    isobutanol 2736.79
    1,4-dioxane 4506.29
    methyl acetate 1971.58
    THF 6161.75
    2-butanone 2801.75
    n-pentanol 1777.12
    sec-butanol 2997.89
    n-hexane 700.79
    ethylene glycol 182.15
    NMP 2302.01
    cyclohexane 1648.36
    DMSO 1905.47
    n-butyl acetate 3502.84
    n-octanol 985.76
    chloroform 7497.38
    n-propyl acetate 1851.95
    acetic acid 2178.68
    dichloromethane 5682.32
    cyclohexanone 5356.42
    propylene glycol 459.58
    isopropyl acetate 2360.49
    DMAc 1703.31
    2-ethoxyethanol 1337.09
    isopentanol 2793.83
    n-heptane 359.44
    ethyl formate 1681.93
    1,2-dichloroethane 3694.84
    n-hexanol 2551.05
    2-methoxyethanol 2223.7
    isobutyl acetate 1311.25
    tetrachloromethane 1207.44
    n-pentyl acetate 1805.09
    transcutol 4336.89
    n-heptanol 989.62
    ethylbenzene 848.78
    MIBK 1694.89
    2-propoxyethanol 2355.61
    tert-butanol 3779.35
    MTBE 3596.66
    2-butoxyethanol 1376.51
    propionic acid 1583.07
    o-xylene 885.16
    formic acid 381.43
    diethyl ether 3519.17
    m-xylene 991.81
    p-xylene 1270.5
    chlorobenzene 2555.83
    dimethyl carbonate 433.78
    n-octane 150.17
    formamide 531.92
    cyclopentanone 3900.15
    2-pentanone 2717.23
    anisole 1238.72
    cyclopentyl methyl ether 2604.31
    gamma-butyrolactone 3649.71
    1-methoxy-2-propanol 1880.5
    pyridine 3885.94
    3-pentanone 1556.8
    furfural 2502.91
    n-dodecane 106.35
    diethylene glycol 967.54
    diisopropyl ether 1153.27
    tert-amyl alcohol 2679.97
    acetylacetone 2252.28
    n-hexadecane 129.19
    acetophenone 1097.73
    methyl propionate 1478.62
    isopentyl acetate 3097.01
    trichloroethylene 5897.37
    n-nonanol 830.0
    cyclohexanol 3260.14
    benzyl alcohol 995.74
    2-ethylhexanol 1398.05
    isooctanol 815.19
    dipropyl ether 1618.79
    1,2-dichlorobenzene 1779.88
    ethyl lactate 502.31
    propylene carbonate 2410.45
    n-methylformamide 1150.61
    2-pentanol 2379.24
    n-pentane 567.16
    1-propoxy-2-propanol 1997.36
    1-methoxy-2-propyl acetate 1794.5
    2-(2-methoxypropoxy) propanol 963.87
    mesitylene 678.48
    ε-caprolactone 3960.25
    p-cymene 576.01
    epichlorohydrin 3965.19
    1,1,1-trichloroethane 3886.31
    2-aminoethanol 670.17
    morpholine-4-carbaldehyde 2223.37
    sulfolane 2764.7
    2,2,4-trimethylpentane 248.9
    2-methyltetrahydrofuran 4797.49
    n-hexyl acetate 2294.99
    isooctane 212.03
    2-(2-butoxyethoxy)ethanol 1484.65
    sec-butyl acetate 1428.5
    tert-butyl acetate 1897.67
    decalin 430.26
    glycerin 460.91
    diglyme 2556.12
    acrylic acid 999.35
    isopropyl myristate 726.73
    n-butyric acid 3743.95
    acetyl acetate 1625.57
    di(2-ethylhexyl) phthalate 576.9
    ethyl propionate 1286.82
    nitromethane 2442.85
    1,2-diethoxyethane 2254.56
    benzonitrile 1911.11
    trioctyl phosphate 451.28
    1-bromopropane 2931.84
    gamma-valerolactone 4413.4
    n-decanol 559.42
    triethyl phosphate 496.78
    4-methyl-2-pentanol 1190.6
    propionitrile 2023.85
    vinylene carbonate 1883.52
    1,1,2-trichlorotrifluoroethane 1922.12
    DMS 1031.77
    cumene 593.82
    2-octanol 811.6
    2-hexanone 1812.04
    octyl acetate 912.18
    limonene 1007.11
    1,2-dimethoxyethane 2754.29
    ethyl orthosilicate 521.02
    tributyl phosphate 571.61
    diacetone alcohol 1508.4
    N,N-dimethylaniline 767.36
    acrylonitrile 1642.77
    aniline 1658.91
    1,3-propanediol 1475.61
    bromobenzene 2826.16
    dibromomethane 4427.63
    1,1,2,2-tetrachloroethane 5096.32
    2-methyl-cyclohexyl acetate 1168.83
    tetrabutyl urea 657.07
    diisobutyl methanol 775.32
    2-phenylethanol 1258.86
    styrene 1081.58
    dioctyl adipate 884.8
    dimethyl sulfate 548.81
    ethyl butyrate 1702.11
    methyl lactate 543.76
    butyl lactate 1084.35
    diethyl carbonate 913.91
    propanediol butyl ether 1088.99
    triethyl orthoformate 996.64
    p-tert-butyltoluene 537.45
    methyl 4-tert-butylbenzoate 965.13
    morpholine 5214.1
    tert-butylamine 2620.19
    n-dodecanol 413.4
    dimethoxymethane 1516.38
    ethylene carbonate 1990.41
    cyrene 700.92
    2-ethoxyethyl acetate 1785.22
    2-ethylhexyl acetate 2205.01
    1,2,4-trichlorobenzene 2031.57
    4-methylpyridine 3837.65
    dibutyl ether 1551.77
    2,6-dimethyl-4-heptanol 775.32
    DEF 2209.42
    dimethyl isosorbide 1557.65
    tetrachloroethylene 3176.47
    eugenol 872.66
    triacetin 1176.29
    span 80 1085.15
    1,4-butanediol 490.02
    1,1-dichloroethane 4733.25
    2-methyl-1-pentanol 1570.75
    methyl formate 813.48
    2-methyl-1-butanol 2337.56
    n-decane 205.8
    butyronitrile 3163.55
    3,7-dimethyl-1-octanol 979.95
    1-chlorooctane 796.19
    1-chlorotetradecane 289.65
    n-nonane 209.43
    undecane 140.98
    tert-butylcyclohexane 347.46
    cyclooctane 372.71
    cyclopentanol 2726.79
    tetrahydropyran 6602.37
    tert-amyl methyl ether 1889.88
    2,5,8-trioxanonane 1445.92
    1-hexene 1820.53
    2-isopropoxyethanol 1069.17
    2,2,2-trifluoroethanol 503.27
    methyl butyrate 2107.15

    Scent© AI

1 of 4
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