Methyl cyclohexanepropionate

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  • Identifiers

    CAS number
    20681-51-0

    Molecular formula
    C10H18O2

    SMILES
    COC(=O)CCC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 89.87%
    Sweet 68.85%
    Pineapple 62.58%
    Green 50.55%
    Waxy 48.67%
    Peach 43.09%
    Tropical 39.09%
    Apricot 39.0%
    Pear 38.55%
    Fatty 38.22%

     

    Flavor
    Fruity 75.87%
    Green 49.94%
    Fruit 45.59%
    Waxy 43.98%
    Pineapple 40.63%
    Tropical 38.43%
    Rose 34.3%
    Sweet 32.63%
    Floral 31.42%
    Apple 30.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.1 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    228°C

    Flash point

    • 93.4 ˚C est.

  • Synonyms

    • 20681-51-0
    • Methyl 3-cyclohexylpropanoate
    • Methyl cyclohexanepropionate
    • Cyclohexanepropionic acid methyl ester
    • Methyl 3-cyclohexylpropionate
    • Methyl Cyclohexanepropanoate
    • Cyclohexanepropanoic acid, methyl ester
    • EINECS 243-966-0
    • AI3-14189
    • Methyl cyclohexane propionate
    • SCHEMBL2907816
    • Methyl 3-cyclohexylpropanoate #
    • DTXSID00174735
    • NSC71455
    • MFCD00010611
    • NSC 71455
    • NSC-71455
    • AKOS008906749
    • Cyclohexanepropionic acid, methyl ester
    • 3-cyclohexyl-propionic acid methyl ester
    • DB-081449
    • NS00026715
    • G69912
    • Q63398683

  • Applications

    Methyl cyclohexanepropionate (CAS 20681-51-0) is used primarily as an organic synthesis intermediate and may serve as a solvent/diluent in coatings, inks, and cleaning products. In fragrance and flavor chemistry, it can function as an odorant component or aroma carrier. It is also employed as a processing aid or plasticizer in polymer formulations and may act as a precursor to cyclohexylpropionate derivatives. In cosmetics and personal care, it may be used as a solvent or carrier in formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1771.83
    methanol 1886.87
    isopropanol 1413.85
    water 0.15
    ethyl acetate 2958.42
    n-propanol 1307.53
    acetone 3313.98
    n-butanol 1155.16
    acetonitrile 2167.73
    DMF 2603.12
    toluene 1112.13
    isobutanol 819.99
    1,4-dioxane 3417.72
    methyl acetate 1738.03
    THF 3688.48
    2-butanone 2052.53
    n-pentanol 593.02
    sec-butanol 876.91
    n-hexane 76.64
    ethylene glycol 203.21
    NMP 1451.74
    cyclohexane 202.15
    DMSO 2866.39
    n-butyl acetate 1307.1
    n-octanol 163.56
    chloroform 5181.73
    n-propyl acetate 1076.58
    acetic acid 1330.09
    dichloromethane 4899.67
    cyclohexanone 2681.44
    propylene glycol 363.04
    isopropyl acetate 1500.08
    DMAc 1246.73
    2-ethoxyethanol 985.82
    isopentanol 982.66
    n-heptane 32.92
    ethyl formate 1301.59
    1,2-dichloroethane 3390.41
    n-hexanol 584.2
    2-methoxyethanol 2105.59
    isobutyl acetate 537.82
    tetrachloromethane 544.57
    n-pentyl acetate 519.57
    transcutol 4485.65
    n-heptanol 190.03
    ethylbenzene 357.17
    MIBK 889.09
    2-propoxyethanol 1122.66
    tert-butanol 1617.85
    MTBE 1477.86
    2-butoxyethanol 516.64
    propionic acid 1090.71
    o-xylene 461.57
    formic acid 381.77
    diethyl ether 2036.59
    m-xylene 569.91
    p-xylene 428.25
    chlorobenzene 1431.83
    dimethyl carbonate 493.98
    n-octane 11.41
    formamide 863.39
    cyclopentanone 3084.87
    2-pentanone 1887.88
    anisole 882.09
    cyclopentyl methyl ether 1669.92
    gamma-butyrolactone 3192.28
    1-methoxy-2-propanol 1560.81
    pyridine 3181.69
    3-pentanone 1124.35
    furfural 2439.17
    n-dodecane 9.18
    diethylene glycol 743.54
    diisopropyl ether 407.37
    tert-amyl alcohol 965.83
    acetylacetone 2128.34
    n-hexadecane 11.44
    acetophenone 699.09
    methyl propionate 1512.53
    isopentyl acetate 998.42
    trichloroethylene 6030.49
    n-nonanol 147.34
    cyclohexanol 1043.3
    benzyl alcohol 627.67
    2-ethylhexanol 325.61
    isooctanol 167.01
    dipropyl ether 504.01
    1,2-dichlorobenzene 1133.76
    ethyl lactate 322.25
    propylene carbonate 1459.32
    n-methylformamide 1495.13
    2-pentanol 721.62
    n-pentane 74.69
    1-propoxy-2-propanol 830.41
    1-methoxy-2-propyl acetate 1189.87
    2-(2-methoxypropoxy) propanol 544.49
    mesitylene 291.37
    ε-caprolactone 2061.23
    p-cymene 168.31
    epichlorohydrin 4064.87
    1,1,1-trichloroethane 2646.39
    2-aminoethanol 569.07
    morpholine-4-carbaldehyde 1877.77
    sulfolane 2797.26
    2,2,4-trimethylpentane 36.33
    2-methyltetrahydrofuran 2716.11
    n-hexyl acetate 617.61
    isooctane 33.65
    2-(2-butoxyethoxy)ethanol 867.72
    sec-butyl acetate 699.82
    tert-butyl acetate 1243.39
    decalin 71.66
    glycerin 448.58
    diglyme 1816.92
    acrylic acid 834.5
    isopropyl myristate 201.45
    n-butyric acid 2004.55
    acetyl acetate 1364.93
    di(2-ethylhexyl) phthalate 202.38
    ethyl propionate 934.48
    nitromethane 2966.51
    1,2-diethoxyethane 1422.15
    benzonitrile 1090.15
    trioctyl phosphate 128.81
    1-bromopropane 1571.19
    gamma-valerolactone 3333.44
    n-decanol 102.93
    triethyl phosphate 239.99
    4-methyl-2-pentanol 344.54
    propionitrile 1563.99
    vinylene carbonate 1316.39
    1,1,2-trichlorotrifluoroethane 1932.1
    DMS 595.78
    cumene 193.6
    2-octanol 123.89
    2-hexanone 890.83
    octyl acetate 235.71
    limonene 257.01
    1,2-dimethoxyethane 1873.26
    ethyl orthosilicate 243.78
    tributyl phosphate 201.7
    diacetone alcohol 1111.87
    N,N-dimethylaniline 404.01
    acrylonitrile 1890.98
    aniline 1352.35
    1,3-propanediol 998.52
    bromobenzene 1627.57
    dibromomethane 3026.95
    1,1,2,2-tetrachloroethane 4339.81
    2-methyl-cyclohexyl acetate 423.51
    tetrabutyl urea 219.82
    diisobutyl methanol 199.66
    2-phenylethanol 559.57
    styrene 586.0
    dioctyl adipate 338.32
    dimethyl sulfate 690.41
    ethyl butyrate 769.85
    methyl lactate 504.67
    butyl lactate 385.4
    diethyl carbonate 471.45
    propanediol butyl ether 463.01
    triethyl orthoformate 451.61
    p-tert-butyltoluene 170.82
    methyl 4-tert-butylbenzoate 449.97
    morpholine 4087.95
    tert-butylamine 944.73
    n-dodecanol 73.89
    dimethoxymethane 1654.71
    ethylene carbonate 1167.91
    cyrene 416.24
    2-ethoxyethyl acetate 917.1
    2-ethylhexyl acetate 705.48
    1,2,4-trichlorobenzene 1285.64
    4-methylpyridine 2597.37
    dibutyl ether 392.94
    2,6-dimethyl-4-heptanol 199.66
    DEF 1803.96
    dimethyl isosorbide 931.54
    tetrachloroethylene 2633.06
    eugenol 430.92
    triacetin 631.92
    span 80 463.45
    1,4-butanediol 257.19
    1,1-dichloroethane 3196.13
    2-methyl-1-pentanol 501.62
    methyl formate 1005.01
    2-methyl-1-butanol 759.98
    n-decane 17.26
    butyronitrile 1631.76
    3,7-dimethyl-1-octanol 245.58
    1-chlorooctane 138.93
    1-chlorotetradecane 45.06
    n-nonane 15.69
    undecane 12.02
    tert-butylcyclohexane 57.44
    cyclooctane 47.92
    cyclopentanol 1068.73
    tetrahydropyran 3319.57
    tert-amyl methyl ether 801.97
    2,5,8-trioxanonane 1048.6
    1-hexene 412.33
    2-isopropoxyethanol 649.74
    2,2,2-trifluoroethanol 386.12
    methyl butyrate 1293.04

    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