Cyclohexyl cyclohexanecarboxylate

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  • Identifiers

    CAS number
    15840-96-7

    Molecular formula
    C13H22O2

    SMILES
    C1CCC(CC1)C(=O)OC2CCCCC2

    Safety labels

  • Odor profile

    Fragrance
    Fruity 81.33%
    Floral 47.3%
    Green 43.0%
    Herbal 42.75%
    Sweet 42.21%
    Woody 40.57%
    Apple 32.26%
    Pineapple 31.39%
    Fresh 31.11%
    Balsamic 31.1%

     

    Flavor
    Fruity 51.96%
    Fruit 35.98%
    Cheese 28.08%
    Pineapple 27.72%
    Animal 27.61%
    Plant 21.03%
    Alkaline 20.58%
    Shrimp 20.57%
    Fatty 20.32%
    Beet 20.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.31 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    282°C

    Flash point

    • 124.95 ˚C est.

  • Synonyms

    • Cyclohexyl cyclohexanecarboxylate
    • 15840-96-7
    • Cyclohexanecarboxylic acid, cyclohexyl ester
    • EINECS 239-945-0
    • AI3-04802
    • DTXSID80166416
    • NSC 406680
    • RefChem:129676
    • DTXCID6088907
    • 239-945-0
    • VJCWGXGMXAVKJU-UHFFFAOYSA-N
    • MFCD20528371
    • NSC-406680
    • CyclohexylCyclohexanecarboxylate
    • cyclohexyl cyclohexanoate
    • VYL4CF44GX
    • SCHEMBL170007
    • SCHEMBL4931699
    • SCHEMBL11181516
    • Cyclohexyl cyclohexanecarboxylate #
    • NSC406680
    • AKOS015919668
    • s10561
    • DA-34942
    • DS-15790
    • SY022093
    • CS-0155337
    • NS00025149
    • 15840-96-7

  • Applications

    Cyclohexyl cyclohexanecarboxylate (CAS 15840-96-7) is commonly used in perfumery as a fragrance ingredient and fixative, helping to extend aroma in formulations. It is also employed in cosmetics and personal care products as a scent component. In household products, it can function as a fragrance additive in cleaners, detergents, and air fresheners. In industrial manufacturing, it may serve as a solvent or processing aid in coatings and inks, and as an intermediate in fragrance synthesis. Use is formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 762.53
    methanol 559.97
    isopropanol 850.55
    water 0.46
    ethyl acetate 1129.76
    n-propanol 792.73
    acetone 1556.43
    n-butanol 851.93
    acetonitrile 1041.14
    DMF 1778.01
    toluene 824.97
    isobutanol 759.22
    1,4-dioxane 1606.26
    methyl acetate 925.82
    THF 2148.83
    2-butanone 1296.91
    n-pentanol 548.59
    sec-butanol 797.17
    n-hexane 231.56
    ethylene glycol 72.42
    NMP 1436.85
    cyclohexane 541.03
    DMSO 929.59
    n-butyl acetate 1238.88
    n-octanol 498.18
    chloroform 6120.72
    n-propyl acetate 908.37
    acetic acid 956.54
    dichloromethane 4400.02
    cyclohexanone 2607.38
    propylene glycol 159.6
    isopropyl acetate 838.31
    DMAc 1217.67
    2-ethoxyethanol 515.57
    isopentanol 838.08
    n-heptane 129.88
    ethyl formate 925.15
    1,2-dichloroethane 2666.66
    n-hexanol 661.57
    2-methoxyethanol 844.24
    isobutyl acetate 609.91
    tetrachloromethane 670.44
    n-pentyl acetate 972.59
    transcutol 2118.88
    n-heptanol 422.36
    ethylbenzene 546.33
    MIBK 753.67
    2-propoxyethanol 736.81
    tert-butanol 835.08
    MTBE 790.08
    2-butoxyethanol 669.93
    propionic acid 797.21
    o-xylene 508.13
    formic acid 179.16
    diethyl ether 860.09
    m-xylene 492.03
    p-xylene 760.86
    chlorobenzene 1911.8
    dimethyl carbonate 360.1
    n-octane 83.93
    formamide 346.0
    cyclopentanone 2498.74
    2-pentanone 1142.49
    anisole 812.72
    cyclopentyl methyl ether 1038.29
    gamma-butyrolactone 2412.53
    1-methoxy-2-propanol 731.59
    pyridine 2714.59
    3-pentanone 856.13
    furfural 2162.76
    n-dodecane 66.33
    diethylene glycol 378.5
    diisopropyl ether 330.7
    tert-amyl alcohol 693.75
    acetylacetone 1143.57
    n-hexadecane 79.66
    acetophenone 851.33
    methyl propionate 779.36
    isopentyl acetate 1053.65
    trichloroethylene 5215.78
    n-nonanol 430.05
    cyclohexanol 1082.21
    benzyl alcohol 620.16
    2-ethylhexanol 471.14
    isooctanol 396.77
    dipropyl ether 554.0
    1,2-dichlorobenzene 1589.42
    ethyl lactate 347.95
    propylene carbonate 1518.58
    n-methylformamide 800.13
    2-pentanol 652.02
    n-pentane 175.02
    1-propoxy-2-propanol 691.58
    1-methoxy-2-propyl acetate 709.66
    2-(2-methoxypropoxy) propanol 543.4
    mesitylene 355.8
    ε-caprolactone 2020.6
    p-cymene 308.34
    epichlorohydrin 2446.96
    1,1,1-trichloroethane 2468.39
    2-aminoethanol 230.29
    morpholine-4-carbaldehyde 1392.12
    sulfolane 2013.67
    2,2,4-trimethylpentane 83.77
    2-methyltetrahydrofuran 1600.74
    n-hexyl acetate 1145.54
    isooctane 74.41
    2-(2-butoxyethoxy)ethanol 793.37
    sec-butyl acetate 622.91
    tert-butyl acetate 739.5
    decalin 203.68
    glycerin 218.38
    diglyme 1521.55
    acrylic acid 683.24
    isopropyl myristate 444.76
    n-butyric acid 1476.91
    acetyl acetate 793.88
    di(2-ethylhexyl) phthalate 346.62
    ethyl propionate 738.83
    nitromethane 1493.33
    1,2-diethoxyethane 949.59
    benzonitrile 1497.36
    trioctyl phosphate 264.89
    1-bromopropane 1539.64
    gamma-valerolactone 2526.41
    n-decanol 295.95
    triethyl phosphate 330.03
    4-methyl-2-pentanol 414.0
    propionitrile 1104.14
    vinylene carbonate 1467.93
    1,1,2-trichlorotrifluoroethane 1364.25
    DMS 688.86
    cumene 362.75
    2-octanol 381.46
    2-hexanone 893.91
    octyl acetate 552.01
    limonene 421.15
    1,2-dimethoxyethane 1234.11
    ethyl orthosilicate 313.15
    tributyl phosphate 346.83
    diacetone alcohol 661.65
    N,N-dimethylaniline 504.95
    acrylonitrile 1308.27
    aniline 955.78
    1,3-propanediol 505.27
    bromobenzene 2224.3
    dibromomethane 3019.81
    1,1,2,2-tetrachloroethane 4302.41
    2-methyl-cyclohexyl acetate 580.45
    tetrabutyl urea 425.1
    diisobutyl methanol 320.79
    2-phenylethanol 602.33
    styrene 765.87
    dioctyl adipate 579.08
    dimethyl sulfate 479.17
    ethyl butyrate 814.0
    methyl lactate 363.89
    butyl lactate 617.15
    diethyl carbonate 583.11
    propanediol butyl ether 548.71
    triethyl orthoformate 557.23
    p-tert-butyltoluene 273.45
    methyl 4-tert-butylbenzoate 685.87
    morpholine 1707.62
    tert-butylamine 590.63
    n-dodecanol 225.06
    dimethoxymethane 748.22
    ethylene carbonate 1285.07
    cyrene 438.2
    2-ethoxyethyl acetate 873.76
    2-ethylhexyl acetate 839.66
    1,2,4-trichlorobenzene 1695.37
    4-methylpyridine 2334.54
    dibutyl ether 785.8
    2,6-dimethyl-4-heptanol 320.79
    DEF 1212.67
    dimethyl isosorbide 878.92
    tetrachloroethylene 2622.36
    eugenol 593.75
    triacetin 818.6
    span 80 607.88
    1,4-butanediol 185.81
    1,1-dichloroethane 2865.06
    2-methyl-1-pentanol 538.62
    methyl formate 617.09
    2-methyl-1-butanol 748.51
    n-decane 118.05
    butyronitrile 1464.43
    3,7-dimethyl-1-octanol 489.96
    1-chlorooctane 497.44
    1-chlorotetradecane 178.79
    n-nonane 119.03
    undecane 83.43
    tert-butylcyclohexane 151.76
    cyclooctane 152.79
    cyclopentanol 1076.55
    tetrahydropyran 2049.58
    tert-amyl methyl ether 541.46
    2,5,8-trioxanonane 935.96
    1-hexene 680.22
    2-isopropoxyethanol 411.93
    2,2,2-trifluoroethanol 338.99
    methyl butyrate 1153.92

    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