Cyclohexyl acetate

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  • Identifiers

    CAS number
    622-45-7

    Molecular formula
    C8H14O2

    SMILES
    CC(=O)OC1CCCCC1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 97.26%
    Sweet 74.87%
    Banana 66.89%
    Apple 58.71%
    Ethereal 54.68%
    Green 43.54%
    Pineapple 42.64%
    Floral 42.5%
    Rummy 37.85%
    Pear 37.2%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • Freezing point = -65 °C
    • -65 °C

    Boiling point

    • 350 °F at 760 mmHg (USCG, 1999)
    • 173 °C
    • 175.00 to 177.00 °C. @ 760.00 mm Hg

    Flash point est.
    73.68 ˚C

    Flash point expt.

    • 136 °F (USCG, 1999)
    • 136 °F; 58 °C (Closed cup)
    • 58 °C c.c.

    Solubility expt.

    • Very soluble in ethyl ether and ethanol.
    • Solubility in water, g/100ml at 20 °C: 0.2 (slightly soluble)
    • Insoluble in water; miscible in ether
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • CYCLOHEXYL ACETATE
    • 622-45-7
    • Acetic acid, cyclohexyl ester
    • Hexalin acetate
    • Cyclohexanyl acetate
    • Adronal acetate
    • Cyclohexanolazetat
    • Cyclohexanol, acetate
    • Cyclohexane acetate
    • Acetic Acid Cyclohexyl Ester
    • Cyclohexylester kyseliny octove
    • FEMA No. 2349
    • Cyclohexanolazetat [German]
    • NSC 8772
    • HSDB 2820
    • UL0RS4H1UE
    • EINECS 210-736-6
    • UN2243
    • Cyclohexylester kyseliny octove [Czech]
    • BRN 1906543
    • DTXSID6052299
    • AI3-03294
    • NSC-8772
    • Cyclohexanolazetat (german)
    • CYCLOHEXANOL, ACETATE-
    • Cyclohexyl ester of acetic acid
    • CYCLOHEXYL ACETATE [FCC]
    • DTXCID0030871
    • CYCLOHEXYL ACETATE [FHFI]
    • CYCLOHEXYL ACETATE [HSDB]
    • 4-06-00-00036 (Beilstein Handbook Reference)
    • UNII-UL0RS4H1UE
    • Cyclohexylacetate
    • Acetoxycyclohexane
    • cyclohexyl ethanoate
    • H.A. solvent
    • 6-acetoxycyclohexane
    • Cyclohexanol Acetate
    • MFCD00003850
    • Cyclohexyl acetate, 99%
    • WLN: L6TJ AOV1
    • Cyclohexyl acetate [UN2243] [Flammable liquid]
    • SCHEMBL93396
    • CHEBI:31447
    • FEMA 2349
    • NSC8772
    • Cyclohexyl acetate, >=98%, FG
    • Tox21_303723
    • AKOS015916121
    • UN 2243
    • NCGC00357035-01
    • CAS-622-45-7
    • DB-054103
    • A0028
    • NS00012157
    • A833670
    • Cyclohexyl acetate [UN2243] [Flammable liquid]
    • Q2706345
    • CYCLOHEXANOL ACETATE (FLAMMABLE LIQUIDS, N.O.S.)
    • CYCLOHEXANOL ACETATE (COMBUSTIBLE LIQUID, N.O.S.)
    • 210-736-6

  • Applications

    Cyclohexyl acetate (CAS 622-45-7) is a pleasantly scented ester with moderate volatility and strong solvency, making it a preferred solvent in premium wood coatings, printing inks, nitrocellulose lacquers, UV-curable finishes, adhesives and mold-release cleaners; in the fragrance industry it serves as a scent modifier for perfumes, deodorants, shampoos and personal-care products and is blended with fruity esters to create artificial pear or apple flavors in food; in organic synthesis it functions as an intermediate for producing cyclohexanol derivatives, plasticizers, surfactants, dyes, corrosion inhibitors and lubricant additives; additionally it is used as a heat-transfer agent, epoxy diluent, carrier solvent for pesticides, water-treatment chemicals, electronic cleaners and electroplating baths because of its thermal stability and compatibility with diverse solvent systems.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 580.47
    methanol 769.91
    isopropanol 596.92
    water 1.56
    ethyl acetate 315.05
    n-propanol 512.0
    acetone 618.34
    n-butanol 442.2
    acetonitrile 548.11
    DMF 849.64
    toluene 259.34
    isobutanol 405.19
    1,4-dioxane 710.0
    methyl acetate 357.72
    THF 915.09
    2-butanone 415.45
    n-pentanol 271.92
    sec-butanol 469.91
    n-hexane 111.53
    ethylene glycol 155.44
    NMP 790.84
    cyclohexane 186.7
    DMSO 873.76
    n-butyl acetate 301.5
    n-octanol 229.71
    chloroform 2339.93
    n-propyl acetate 216.4
    acetic acid 646.49
    dichloromethane 1622.2
    cyclohexanone 772.64
    propylene glycol 247.61
    isopropyl acetate 212.44
    DMAc 593.3
    2-ethoxyethanol 253.18
    isopentanol 341.05
    n-heptane 78.01
    ethyl formate 304.12
    1,2-dichloroethane 691.75
    n-hexanol 367.6
    2-methoxyethanol 509.88
    isobutyl acetate 155.42
    tetrachloromethane 277.94
    n-pentyl acetate 229.73
    transcutol 798.13
    n-heptanol 175.69
    ethylbenzene 171.81
    MIBK 219.85
    2-propoxyethanol 407.14
    tert-butanol 600.87
    MTBE 316.58
    2-butoxyethanol 242.85
    propionic acid 495.51
    o-xylene 195.23
    formic acid 162.68
    diethyl ether 302.47
    m-xylene 197.66
    p-xylene 225.56
    chlorobenzene 478.35
    dimethyl carbonate 131.9
    n-octane 35.55
    formamide 198.08
    cyclopentanone 841.76
    2-pentanone 331.94
    anisole 285.34
    cyclopentyl methyl ether 386.72
    gamma-butyrolactone 946.48
    1-methoxy-2-propanol 441.2
    pyridine 712.28
    3-pentanone 267.1
    furfural 779.24
    n-dodecane 35.16
    diethylene glycol 315.15
    diisopropyl ether 107.2
    tert-amyl alcohol 421.3
    acetylacetone 386.16
    n-hexadecane 39.66
    acetophenone 281.1
    methyl propionate 286.66
    isopentyl acetate 266.31
    trichloroethylene 1408.24
    n-nonanol 190.42
    cyclohexanol 494.43
    benzyl alcohol 250.84
    2-ethylhexanol 207.76
    isooctanol 147.08
    dipropyl ether 226.96
    1,2-dichlorobenzene 433.23
    ethyl lactate 151.91
    propylene carbonate 557.29
    n-methylformamide 430.09
    2-pentanol 306.71
    n-pentane 100.47
    1-propoxy-2-propanol 324.1
    1-methoxy-2-propyl acetate 264.29
    2-(2-methoxypropoxy) propanol 284.58
    mesitylene 136.04
    ε-caprolactone 598.13
    p-cymene 126.59
    epichlorohydrin 774.64
    1,1,1-trichloroethane 758.29
    2-aminoethanol 300.58
    morpholine-4-carbaldehyde 671.12
    sulfolane 1161.63
    2,2,4-trimethylpentane 45.6
    2-methyltetrahydrofuran 618.89
    n-hexyl acetate 362.89
    isooctane 35.61
    2-(2-butoxyethoxy)ethanol 341.47
    sec-butyl acetate 150.69
    tert-butyl acetate 233.62
    decalin 74.6
    glycerin 288.19
    diglyme 532.45
    acrylic acid 457.6
    isopropyl myristate 162.18
    n-butyric acid 568.47
    acetyl acetate 254.35
    di(2-ethylhexyl) phthalate 164.52
    ethyl propionate 203.97
    nitromethane 716.0
    1,2-diethoxyethane 265.48
    benzonitrile 471.17
    trioctyl phosphate 126.05
    1-bromopropane 504.47
    gamma-valerolactone 860.56
    n-decanol 143.61
    triethyl phosphate 135.76
    4-methyl-2-pentanol 163.2
    propionitrile 483.63
    vinylene carbonate 520.23
    1,1,2-trichlorotrifluoroethane 600.99
    DMS 261.37
    cumene 128.09
    2-octanol 146.42
    2-hexanone 249.4
    octyl acetate 201.76
    limonene 193.06
    1,2-dimethoxyethane 474.77
    ethyl orthosilicate 121.94
    tributyl phosphate 152.48
    diacetone alcohol 302.45
    N,N-dimethylaniline 209.98
    acrylonitrile 591.3
    aniline 333.3
    1,3-propanediol 356.07
    bromobenzene 530.66
    dibromomethane 1150.82
    1,1,2,2-tetrachloroethane 1183.64
    2-methyl-cyclohexyl acetate 210.94
    tetrabutyl urea 191.26
    diisobutyl methanol 132.21
    2-phenylethanol 248.16
    styrene 225.11
    dioctyl adipate 236.27
    dimethyl sulfate 257.16
    ethyl butyrate 226.35
    methyl lactate 206.29
    butyl lactate 206.49
    diethyl carbonate 171.67
    propanediol butyl ether 291.73
    triethyl orthoformate 166.35
    p-tert-butyltoluene 122.43
    methyl 4-tert-butylbenzoate 280.6
    morpholine 698.25
    tert-butylamine 411.36
    n-dodecanol 113.67
    dimethoxymethane 350.27
    ethylene carbonate 415.4
    cyrene 244.8
    2-ethoxyethyl acetate 252.56
    2-ethylhexyl acetate 204.21
    1,2,4-trichlorobenzene 480.65
    4-methylpyridine 618.31
    dibutyl ether 228.15
    2,6-dimethyl-4-heptanol 132.21
    DEF 370.16
    dimethyl isosorbide 427.17
    tetrachloroethylene 734.12
    eugenol 254.55
    triacetin 334.27
    span 80 318.39
    1,4-butanediol 155.1
    1,1-dichloroethane 865.14
    2-methyl-1-pentanol 230.84
    methyl formate 325.72
    2-methyl-1-butanol 325.72
    n-decane 54.4
    butyronitrile 468.03
    3,7-dimethyl-1-octanol 214.85
    1-chlorooctane 176.82
    1-chlorotetradecane 79.63
    n-nonane 54.58
    undecane 42.32
    tert-butylcyclohexane 67.4
    cyclooctane 54.57
    cyclopentanol 584.88
    tetrahydropyran 651.75
    tert-amyl methyl ether 233.35
    2,5,8-trioxanonane 429.77
    1-hexene 268.96
    2-isopropoxyethanol 192.52
    2,2,2-trifluoroethanol 184.72
    methyl butyrate 294.71

    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