Cyclohexaneethyl acetate

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  • Identifiers

    CAS number
    21722-83-8

    Molecular formula
    C10H18O2

    SMILES
    CC(=O)OCCC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 90.42%
    Floral 74.44%
    Sweet 63.86%
    Green 58.87%
    Rose 47.78%
    Fresh 45.25%
    Waxy 42.37%
    Woody 41.47%
    Apple 38.06%
    Banana 34.94%

     

    Flavor
    Green 64.36%
    Fruity 56.93%
    Rose 53.33%
    Fruit 44.68%
    Sweet 38.39%
    Tropical 34.0%
    Raspberry 32.03%
    Fresh 30.69%
    Herbal 30.61%
    Musty 26.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.03 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 222.00 °C. @ 760.00 mm Hg

    Flash point

    • 93.19 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2-Cyclohexylethyl acetate
    • Cyclohexylethyl acetate
    • 21722-83-8
    • Cyclohexaneethanol, acetate
    • Cyclohexaneethyl acetate
    • Ethylcyclohexyl acetate
    • Cyclohexane ethyl acetate
    • Hexahydrophenethyl acetate
    • Hexahydrophenyl ethyl acetate
    • Cyclohexaneethanol acetate
    • ACETIC ACID, CYCLOHEXYLETHYL ESTER
    • Cyclohexaneethanol, 1-acetate
    • FEMA No. 2348
    • FEMA 2348
    • 15W91S5XTZ
    • DTXSID3047188
    • EINECS 244-543-3
    • BRN 2244135
    • AI3-17442
    • DTXCID1027188
    • NOTFZGFABLVTIG-UHFFFAOYSA-
    • CYCLOHEXANEETHYL ACETATE [FHFI]
    • Fema2348
    • UNII-15W91S5XTZ
    • SCHEMBL18439
    • CHEMBL3560993
    • CHEBI:180232
    • Cyclohexaneethyl acetate, >=98%
    • Tox21_302452
    • CYCLOHEXYLETHYL ACETATE [INCI]
    • 2-CYCLOHEXYLETHYL ACETATE [INCI]
    • NCGC00256680-01
    • CAS-21722-83-8
    • DB-217284
    • NS00012164
    • Q27251747
    • 244-543-3

  • Applications

    Cyclohexaneethyl acetate (CAS 21722-83-8) is used as an industrial solvent and as a fragrance-related intermediate; in perfumery it functions as an odorant and can serve as a fixative in certain formulations; in coatings, inks, and adhesives it provides solvent power and supports processing; it can also act as an intermediate in organic synthesis; and in some polymer systems it may function as a plasticizer or processing aid, subject to formulation conditions and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1564.69
    methanol 1698.22
    isopropanol 1258.11
    water 0.25
    ethyl acetate 1614.23
    n-propanol 1154.81
    acetone 2401.83
    n-butanol 982.72
    acetonitrile 1266.57
    DMF 1755.21
    toluene 691.45
    isobutanol 748.22
    1,4-dioxane 2614.97
    methyl acetate 1033.03
    THF 3157.23
    2-butanone 1339.05
    n-pentanol 565.7
    sec-butanol 797.0
    n-hexane 152.35
    ethylene glycol 198.96
    NMP 1353.32
    cyclohexane 272.8
    DMSO 2516.16
    n-butyl acetate 874.78
    n-octanol 175.05
    chloroform 4145.71
    n-propyl acetate 692.37
    acetic acid 1231.59
    dichloromethane 3111.57
    cyclohexanone 2109.97
    propylene glycol 369.61
    isopropyl acetate 942.03
    DMAc 1008.34
    2-ethoxyethanol 778.62
    isopentanol 800.26
    n-heptane 49.27
    ethyl formate 675.76
    1,2-dichloroethane 2108.28
    n-hexanol 573.03
    2-methoxyethanol 1492.24
    isobutyl acetate 418.0
    tetrachloromethane 459.72
    n-pentyl acetate 413.35
    transcutol 3770.72
    n-heptanol 183.86
    ethylbenzene 278.19
    MIBK 668.12
    2-propoxyethanol 938.98
    tert-butanol 1367.6
    MTBE 1142.23
    2-butoxyethanol 412.82
    propionic acid 917.03
    o-xylene 342.92
    formic acid 336.18
    diethyl ether 1536.96
    m-xylene 426.55
    p-xylene 345.75
    chlorobenzene 1016.7
    dimethyl carbonate 311.32
    n-octane 16.19
    formamide 570.88
    cyclopentanone 2226.25
    2-pentanone 1258.05
    anisole 624.02
    cyclopentyl methyl ether 1462.46
    gamma-butyrolactone 2277.68
    1-methoxy-2-propanol 1168.88
    pyridine 1964.67
    3-pentanone 815.4
    furfural 1604.05
    n-dodecane 12.61
    diethylene glycol 667.83
    diisopropyl ether 335.15
    tert-amyl alcohol 844.94
    acetylacetone 1378.25
    n-hexadecane 15.36
    acetophenone 492.41
    methyl propionate 938.27
    isopentyl acetate 708.81
    trichloroethylene 3673.71
    n-nonanol 155.94
    cyclohexanol 1024.25
    benzyl alcohol 446.49
    2-ethylhexanol 309.76
    isooctanol 157.64
    dipropyl ether 459.67
    1,2-dichlorobenzene 810.82
    ethyl lactate 254.48
    propylene carbonate 1043.28
    n-methylformamide 892.74
    2-pentanol 611.21
    n-pentane 107.41
    1-propoxy-2-propanol 701.46
    1-methoxy-2-propyl acetate 879.04
    2-(2-methoxypropoxy) propanol 501.1
    mesitylene 243.96
    ε-caprolactone 1534.6
    p-cymene 142.23
    epichlorohydrin 2497.63
    1,1,1-trichloroethane 1929.52
    2-aminoethanol 504.58
    morpholine-4-carbaldehyde 1451.0
    sulfolane 2429.52
    2,2,4-trimethylpentane 46.97
    2-methyltetrahydrofuran 2198.35
    n-hexyl acetate 542.66
    isooctane 38.22
    2-(2-butoxyethoxy)ethanol 779.59
    sec-butyl acetate 483.4
    tert-butyl acetate 915.22
    decalin 94.31
    glycerin 446.8
    diglyme 1442.87
    acrylic acid 686.92
    isopropyl myristate 188.83
    n-butyric acid 1395.78
    acetyl acetate 845.28
    di(2-ethylhexyl) phthalate 190.02
    ethyl propionate 612.87
    nitromethane 1830.34
    1,2-diethoxyethane 1133.21
    benzonitrile 728.56
    trioctyl phosphate 124.17
    1-bromopropane 1185.44
    gamma-valerolactone 2373.86
    n-decanol 110.18
    triethyl phosphate 204.34
    4-methyl-2-pentanol 302.56
    propionitrile 951.83
    vinylene carbonate 907.77
    1,1,2-trichlorotrifluoroethane 1485.05
    DMS 479.4
    cumene 166.78
    2-octanol 125.79
    2-hexanone 694.83
    octyl acetate 224.72
    limonene 234.88
    1,2-dimethoxyethane 1459.97
    ethyl orthosilicate 210.98
    tributyl phosphate 199.74
    diacetone alcohol 880.29
    N,N-dimethylaniline 332.37
    acrylonitrile 1085.3
    aniline 936.7
    1,3-propanediol 809.34
    bromobenzene 1150.65
    dibromomethane 2178.11
    1,1,2,2-tetrachloroethane 3168.7
    2-methyl-cyclohexyl acetate 372.57
    tetrabutyl urea 217.03
    diisobutyl methanol 182.41
    2-phenylethanol 438.48
    styrene 431.25
    dioctyl adipate 321.61
    dimethyl sulfate 494.46
    ethyl butyrate 525.64
    methyl lactate 382.0
    butyl lactate 324.58
    diethyl carbonate 329.74
    propanediol butyl ether 450.74
    triethyl orthoformate 354.32
    p-tert-butyltoluene 145.53
    methyl 4-tert-butylbenzoate 380.23
    morpholine 3004.69
    tert-butylamine 863.35
    n-dodecanol 80.3
    dimethoxymethane 1077.05
    ethylene carbonate 822.72
    cyrene 385.27
    2-ethoxyethyl acetate 670.39
    2-ethylhexyl acetate 527.21
    1,2,4-trichlorobenzene 944.44
    4-methylpyridine 1571.41
    dibutyl ether 393.55
    2,6-dimethyl-4-heptanol 182.41
    DEF 1147.99
    dimethyl isosorbide 831.78
    tetrachloroethylene 1969.69
    eugenol 353.94
    triacetin 581.51
    span 80 446.91
    1,4-butanediol 241.58
    1,1-dichloroethane 2239.01
    2-methyl-1-pentanol 475.26
    methyl formate 570.93
    2-methyl-1-butanol 668.99
    n-decane 24.2
    butyronitrile 1041.06
    3,7-dimethyl-1-octanol 239.38
    1-chlorooctane 146.76
    1-chlorotetradecane 50.58
    n-nonane 23.49
    undecane 16.66
    tert-butylcyclohexane 76.19
    cyclooctane 65.21
    cyclopentanol 1065.59
    tetrahydropyran 2705.39
    tert-amyl methyl ether 661.96
    2,5,8-trioxanonane 901.52
    1-hexene 553.29
    2-isopropoxyethanol 528.8
    2,2,2-trifluoroethanol 340.78
    methyl butyrate 819.4

    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