Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

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  • Identifiers

    CAS number
    68366-65-4

    Molecular formula
    C14H26O2

    SMILES
    CC1CCC(C(C1)OC(=O)C(C)C)C(C)C

  • Odor profile

    Fragrance
    Fruity 89.76%
    Herbal 79.84%
    Sweet 78.86%
    Floral 78.8%
    Mint 67.0%
    Rose 50.54%
    Fresh 50.23%
    Woody 43.06%
    Cooling 42.73%
    Spicy 33.18%

     

    Flavor
    Fruity 59.28%
    Green 41.2%
    Tropical 40.45%
    Herbal 35.62%
    Sweet 30.29%
    Minty 27.77%
    Berry 27.43%
    Herb 26.11%
    Fruit 24.98%
    Floral 23.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.15 (weak base)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point

    • 103.76 ˚C est.

  • Synonyms

    • (-)-Menthyl isobutyrate
    • l-Menthyl isobutyrate
    • (5-methyl-2-propan-2-ylcyclohexyl) 2-methylpropanoate
    • 68366-65-4
    • Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
    • 64480-03-1
    • Propanoic acid, 2-methyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
    • EINECS 269-862-5
    • SCHEMBL471103
    • CSZKNSMAMITXAD-UHFFFAOYSA-N
    • NS00120819

  • Applications

    Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester is commonly used as a fragrance ingredient and fixative in perfumery and cosmetics to help stabilize and prolong aroma; it may function as a solvent or emollient in personal care formulations; in coatings and inks it can serve as a plasticizer or processing solvent to improve flexibility and handling; in industrial manufacturing and polymer/plastics formulations it can act as an intermediate or processing aid to modify resin properties; and it may be evaluated as a chemical building block for organic synthesis under local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3317.04
    methanol 2642.45
    isopropanol 3479.38
    water 2.28
    ethyl acetate 3092.8
    n-propanol 2872.85
    acetone 3556.07
    n-butanol 2998.01
    acetonitrile 2539.72
    DMF 2314.78
    toluene 1863.46
    isobutanol 2732.76
    1,4-dioxane 4342.31
    methyl acetate 2269.99
    THF 5379.12
    2-butanone 2806.61
    n-pentanol 1811.37
    sec-butanol 3103.57
    n-hexane 1069.73
    ethylene glycol 186.1
    NMP 2440.7
    cyclohexane 1931.7
    DMSO 1376.65
    n-butyl acetate 3728.29
    n-octanol 1332.5
    chloroform 8720.27
    n-propyl acetate 1993.75
    acetic acid 2740.51
    dichloromethane 5768.46
    cyclohexanone 5300.46
    propylene glycol 441.51
    isopropyl acetate 2415.26
    DMAc 1934.73
    2-ethoxyethanol 1432.15
    isopentanol 2900.04
    n-heptane 486.61
    ethyl formate 1905.5
    1,2-dichloroethane 3660.38
    n-hexanol 2697.24
    2-methoxyethanol 2055.03
    isobutyl acetate 1490.95
    tetrachloromethane 1930.82
    n-pentyl acetate 2149.47
    transcutol 4161.14
    n-heptanol 1361.81
    ethylbenzene 1231.11
    MIBK 1829.57
    2-propoxyethanol 2329.58
    tert-butanol 3655.52
    MTBE 4244.34
    2-butoxyethanol 1669.71
    propionic acid 1821.65
    o-xylene 1221.94
    formic acid 540.66
    diethyl ether 3542.73
    m-xylene 1256.16
    p-xylene 1892.59
    chlorobenzene 2796.31
    dimethyl carbonate 515.87
    n-octane 240.09
    formamide 704.69
    cyclopentanone 3706.69
    2-pentanone 2662.52
    anisole 1505.94
    cyclopentyl methyl ether 2681.26
    gamma-butyrolactone 3772.85
    1-methoxy-2-propanol 1638.55
    pyridine 3727.75
    3-pentanone 1776.27
    furfural 2842.15
    n-dodecane 156.83
    diethylene glycol 990.71
    diisopropyl ether 1432.38
    tert-amyl alcohol 3303.12
    acetylacetone 2182.4
    n-hexadecane 188.02
    acetophenone 1378.62
    methyl propionate 1539.57
    isopentyl acetate 3417.52
    trichloroethylene 6904.06
    n-nonanol 1121.55
    cyclohexanol 3293.51
    benzyl alcohol 1160.86
    2-ethylhexanol 1644.02
    isooctanol 1171.48
    dipropyl ether 1620.92
    1,2-dichlorobenzene 2153.8
    ethyl lactate 571.1
    propylene carbonate 2475.73
    n-methylformamide 1230.76
    2-pentanol 2488.76
    n-pentane 812.53
    1-propoxy-2-propanol 1934.31
    1-methoxy-2-propyl acetate 1810.24
    2-(2-methoxypropoxy) propanol 1072.44
    mesitylene 926.83
    ε-caprolactone 4384.5
    p-cymene 782.56
    epichlorohydrin 3950.47
    1,1,1-trichloroethane 4801.62
    2-aminoethanol 646.79
    morpholine-4-carbaldehyde 2359.85
    sulfolane 2713.12
    2,2,4-trimethylpentane 420.6
    2-methyltetrahydrofuran 4684.59
    n-hexyl acetate 2694.83
    isooctane 337.11
    2-(2-butoxyethoxy)ethanol 1558.18
    sec-butyl acetate 1636.27
    tert-butyl acetate 2009.83
    decalin 644.33
    glycerin 458.71
    diglyme 2874.9
    acrylic acid 1261.61
    isopropyl myristate 852.38
    n-butyric acid 3772.63
    acetyl acetate 1769.33
    di(2-ethylhexyl) phthalate 692.68
    ethyl propionate 1449.04
    nitromethane 2854.53
    1,2-diethoxyethane 2243.51
    benzonitrile 2204.23
    trioctyl phosphate 532.19
    1-bromopropane 2906.98
    gamma-valerolactone 4615.38
    n-decanol 745.32
    triethyl phosphate 600.73
    4-methyl-2-pentanol 1396.88
    propionitrile 2326.88
    vinylene carbonate 2120.9
    1,1,2-trichlorotrifluoroethane 2119.11
    DMS 1213.07
    cumene 854.75
    2-octanol 1163.68
    2-hexanone 2065.23
    octyl acetate 1074.1
    limonene 1203.15
    1,2-dimethoxyethane 2885.45
    ethyl orthosilicate 653.1
    tributyl phosphate 676.86
    diacetone alcohol 1651.3
    N,N-dimethylaniline 940.75
    acrylonitrile 1885.02
    aniline 1811.99
    1,3-propanediol 1365.83
    bromobenzene 3141.03
    dibromomethane 4513.17
    1,1,2,2-tetrachloroethane 6025.14
    2-methyl-cyclohexyl acetate 1351.42
    tetrabutyl urea 721.6
    diisobutyl methanol 911.18
    2-phenylethanol 1439.87
    styrene 1419.53
    dioctyl adipate 1002.26
    dimethyl sulfate 694.85
    ethyl butyrate 1801.07
    methyl lactate 568.15
    butyl lactate 1254.16
    diethyl carbonate 1061.72
    propanediol butyl ether 1212.81
    triethyl orthoformate 1153.81
    p-tert-butyltoluene 743.48
    methyl 4-tert-butylbenzoate 1178.95
    morpholine 4647.8
    tert-butylamine 2841.71
    n-dodecanol 532.79
    dimethoxymethane 1384.19
    ethylene carbonate 2108.48
    cyrene 800.65
    2-ethoxyethyl acetate 1886.37
    2-ethylhexyl acetate 2656.7
    1,2,4-trichlorobenzene 2406.01
    4-methylpyridine 4144.67
    dibutyl ether 1785.84
    2,6-dimethyl-4-heptanol 911.18
    DEF 2304.49
    dimethyl isosorbide 1728.72
    tetrachloroethylene 4089.34
    eugenol 1018.05
    triacetin 1368.5
    span 80 1175.11
    1,4-butanediol 555.08
    1,1-dichloroethane 5035.22
    2-methyl-1-pentanol 1919.06
    methyl formate 985.58
    2-methyl-1-butanol 2608.19
    n-decane 302.52
    butyronitrile 3347.59
    3,7-dimethyl-1-octanol 1284.94
    1-chlorooctane 1077.79
    1-chlorotetradecane 385.36
    n-nonane 312.36
    undecane 206.68
    tert-butylcyclohexane 533.8
    cyclooctane 526.2
    cyclopentanol 2627.88
    tetrahydropyran 5943.61
    tert-amyl methyl ether 2498.4
    2,5,8-trioxanonane 1500.17
    1-hexene 2313.55
    2-isopropoxyethanol 1197.81
    2,2,2-trifluoroethanol 770.48
    methyl butyrate 2210.53

    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