Cyclohexaneacetic acid, methyl ester

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  • Identifiers

    CAS number
    14352-61-5

    Molecular formula
    C9H16O2

    SMILES
    COC(=O)CC1CCCCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 89.29%
    Sweet 63.25%
    Pineapple 59.93%
    Waxy 48.53%
    Green 42.83%
    Floral 42.17%
    Apple 41.69%
    Tropical 39.82%
    Banana 38.34%
    Pear 37.88%

     

    Flavor
    Fruity 72.76%
    Green 45.57%
    Fruit 44.3%
    Pineapple 40.83%
    Tropical 36.41%
    Rose 35.02%
    Floral 32.74%
    Sweet 31.99%
    Berry 30.33%
    Waxy 27.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.71 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 82.19 ˚C est.

  • Synonyms

    • methyl 2-cyclohexylacetate
    • 14352-61-5
    • Methyl cyclohexylacetate
    • Methylcyclohexylacetate
    • Methyl cyclohexaneacetate
    • Cyclohexaneacetic acid, methyl ester
    • MFCD00001516
    • EC 700-789-8
    • NSC 68511
    • Cyclohexyl acetic acid methyl ester
    • SCHEMBL106265
    • Methyl cyclohexylacetate, 99%
    • IMXBRVLCKXGWSS-UHFFFAOYSA-
    • DTXSID60162451
    • cyclohexyl-acetic acid methyl ester
    • NSC68511
    • NSC-68511
    • AKOS008910111
    • CYCLOHEXYLACETIC ACID METHYL ESTER
    • DA-10305
    • SY011892
    • NS00009928
    • EN300-783056
    • F14170
    • Q63408888
    • Z24777001
    • InChI=1/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
    • 700-789-8

  • Applications

    Cyclohexaneacetic acid, methyl ester (CAS 14352-61-5) is primarily used as an intermediate in organic synthesis. In fragrance and cosmetics, it serves as a fragrance ingredient or odorant and can function as a fixative or precursor for cyclohexyl derivatives. In polymer and plastics chemistry, it provides a cyclohexane-containing ester building block for polyester or specialty polymer syntheses. In coatings and inks, it can act as a solvent or reactive diluent in formulation matrices. In pharmaceutical and agrochemical synthesis, it is used as a chemical precursor to more complex compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1104.55
    methanol 991.12
    isopropanol 1207.69
    water 0.82
    ethyl acetate 676.15
    n-propanol 932.75
    acetone 1038.98
    n-butanol 761.7
    acetonitrile 950.0
    DMF 1303.04
    toluene 336.46
    isobutanol 665.26
    1,4-dioxane 1372.9
    methyl acetate 638.1
    THF 1392.14
    2-butanone 685.75
    n-pentanol 409.96
    sec-butanol 726.64
    n-hexane 44.32
    ethylene glycol 205.78
    NMP 681.54
    cyclohexane 148.34
    DMSO 1020.9
    n-butyl acetate 442.76
    n-octanol 191.57
    chloroform 3326.72
    n-propyl acetate 318.72
    acetic acid 993.59
    dichloromethane 2233.73
    cyclohexanone 1111.74
    propylene glycol 369.3
    isopropyl acetate 375.26
    DMAc 565.65
    2-ethoxyethanol 428.85
    isopentanol 562.56
    n-heptane 32.61
    ethyl formate 559.69
    1,2-dichloroethane 1155.46
    n-hexanol 436.22
    2-methoxyethanol 952.49
    isobutyl acetate 204.15
    tetrachloromethane 331.37
    n-pentyl acetate 245.7
    transcutol 1192.25
    n-heptanol 189.85
    ethylbenzene 170.09
    MIBK 297.59
    2-propoxyethanol 560.81
    tert-butanol 1106.95
    MTBE 519.74
    2-butoxyethanol 339.12
    propionic acid 801.55
    o-xylene 208.75
    formic acid 257.98
    diethyl ether 489.8
    m-xylene 217.48
    p-xylene 231.73
    chlorobenzene 636.27
    dimethyl carbonate 166.44
    n-octane 17.03
    formamide 369.24
    cyclopentanone 1177.78
    2-pentanone 548.83
    anisole 336.36
    cyclopentyl methyl ether 490.7
    gamma-butyrolactone 1281.11
    1-methoxy-2-propanol 750.26
    pyridine 1268.33
    3-pentanone 332.13
    furfural 1097.62
    n-dodecane 15.59
    diethylene glycol 421.43
    diisopropyl ether 115.05
    tert-amyl alcohol 621.11
    acetylacetone 564.48
    n-hexadecane 18.11
    acetophenone 300.45
    methyl propionate 435.16
    isopentyl acetate 368.22
    trichloroethylene 2339.29
    n-nonanol 159.59
    cyclohexanol 718.73
    benzyl alcohol 325.08
    2-ethylhexanol 213.09
    isooctanol 160.08
    dipropyl ether 230.34
    1,2-dichlorobenzene 495.83
    ethyl lactate 174.78
    propylene carbonate 739.96
    n-methylformamide 672.08
    2-pentanol 471.3
    n-pentane 52.8
    1-propoxy-2-propanol 428.82
    1-methoxy-2-propyl acetate 357.7
    2-(2-methoxypropoxy) propanol 284.45
    mesitylene 139.0
    ε-caprolactone 874.28
    p-cymene 108.53
    epichlorohydrin 1309.66
    1,1,1-trichloroethane 1174.92
    2-aminoethanol 478.35
    morpholine-4-carbaldehyde 798.48
    sulfolane 1164.81
    2,2,4-trimethylpentane 27.7
    2-methyltetrahydrofuran 915.56
    n-hexyl acetate 325.49
    isooctane 24.19
    2-(2-butoxyethoxy)ethanol 407.82
    sec-butyl acetate 208.9
    tert-butyl acetate 330.86
    decalin 47.67
    glycerin 404.11
    diglyme 705.76
    acrylic acid 645.45
    isopropyl myristate 126.32
    n-butyric acid 1115.31
    acetyl acetate 410.64
    di(2-ethylhexyl) phthalate 136.84
    ethyl propionate 269.27
    nitromethane 1179.53
    1,2-diethoxyethane 359.82
    benzonitrile 623.62
    trioctyl phosphate 100.09
    1-bromopropane 660.58
    gamma-valerolactone 1297.49
    n-decanol 116.58
    triethyl phosphate 120.08
    4-methyl-2-pentanol 223.19
    propionitrile 861.94
    vinylene carbonate 703.75
    1,1,2-trichlorotrifluoroethane 908.56
    DMS 246.45
    cumene 110.35
    2-octanol 132.26
    2-hexanone 317.79
    octyl acetate 163.19
    limonene 156.57
    1,2-dimethoxyethane 691.42
    ethyl orthosilicate 114.54
    tributyl phosphate 117.58
    diacetone alcohol 419.11
    N,N-dimethylaniline 194.74
    acrylonitrile 1011.67
    aniline 533.51
    1,3-propanediol 656.71
    bromobenzene 656.53
    dibromomethane 1470.89
    1,1,2,2-tetrachloroethane 1920.37
    2-methyl-cyclohexyl acetate 204.92
    tetrabutyl urea 148.01
    diisobutyl methanol 140.75
    2-phenylethanol 304.29
    styrene 234.14
    dioctyl adipate 192.2
    dimethyl sulfate 258.95
    ethyl butyrate 290.16
    methyl lactate 264.45
    butyl lactate 221.67
    diethyl carbonate 209.15
    propanediol butyl ether 343.45
    triethyl orthoformate 192.49
    p-tert-butyltoluene 107.0
    methyl 4-tert-butylbenzoate 278.64
    morpholine 1534.63
    tert-butylamine 634.33
    n-dodecanol 88.0
    dimethoxymethane 452.97
    ethylene carbonate 599.28
    cyrene 256.98
    2-ethoxyethyl acetate 315.09
    2-ethylhexyl acetate 256.5
    1,2,4-trichlorobenzene 577.9
    4-methylpyridine 926.83
    dibutyl ether 197.04
    2,6-dimethyl-4-heptanol 140.75
    DEF 517.93
    dimethyl isosorbide 433.39
    tetrachloroethylene 1213.21
    eugenol 271.95
    triacetin 313.36
    span 80 312.64
    1,4-butanediol 217.48
    1,1-dichloroethane 1441.92
    2-methyl-1-pentanol 294.57
    methyl formate 462.92
    2-methyl-1-butanol 497.06
    n-decane 26.46
    butyronitrile 830.58
    3,7-dimethyl-1-octanol 191.99
    1-chlorooctane 124.26
    1-chlorotetradecane 48.0
    n-nonane 25.54
    undecane 19.42
    tert-butylcyclohexane 40.82
    cyclooctane 34.1
    cyclopentanol 833.18
    tetrahydropyran 1243.23
    tert-amyl methyl ether 280.83
    2,5,8-trioxanonane 471.95
    1-hexene 205.66
    2-isopropoxyethanol 290.31
    2,2,2-trifluoroethanol 277.26
    methyl butyrate 417.06

    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