Cyclohexanone

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  • Identifiers

    CAS number
    108-94-1

    Molecular formula
    C6H10O

    SMILES
    C1CCC(=O)CC1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1310.5

  • Odor profile

    Mint 77.07%
    Ketonic 64.37%
    Solvent 52.5%
    Camphoreous 52.48%
    Musty 44.15%
    Sweet 43.24%
    Woody 40.97%
    Nutty 36.11%
    Animal 35.48%
    Tobacco 34.45%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.12 [mmHg]. Odor Threshold High: 100.0 [mmHg]. Detection odor threshold from AIHA (mean = 3.5 ppm)
    • 0.88 ppm; v/v
    • Odor low mg/cu m= 0.4800; Odor high 400 mg/cu m; Irritating Concn= 100 mg/cu m

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 3 °F (NTP, 1992)
    • -31 °C
    • -32.1 °C
    • -49 °F

    Boiling point

    • 312.1 °F at 760 mmHg (NTP, 1992)
    • 155.4 °C
    • 155.6 °C @ 760 MM HG; 132.5 °C @ 400 MM HG; 110.3 °C @ 200 MM HG; 90.4 °C @ 100 MM HG; 77.5 °C @ 60 MM HG; 67.8 °C @ 40 MM HG; 52.5 °C @ 20 MM HG; 38.7 °C @ 10 MM HG; 26.4 °C @ 5 MM HG; 1.4 °C @ 1.0 MM HG
    • 154.00 to 156.00 °C. @ 760.00 mm Hg
    • 156 °C
    • 312 °F

    Flash point est.
    40.75 ˚C

    Flash point expt.

    • 111 °F (NTP, 1992)
    • 44 °C
    • 111 °F (44 °C) (closed cup)
    • 44 °C c.c.
    • 146 °F
    • 111 °F

    Solubility expt.

    • 50 to 100 mg/mL at 64 °F (NTP, 1992)
    • 25000 mg/L (at 25 °C)
    • SOLUBILITY OF WATER IN CYCLOHEXANONE: 87 G/L AT 20 °C.
    • 150 G/L IN WATER @ 10 °C; 50 G/L IN WATER @ 30 °C
    • SOL IN ACETONE; ETHYL ETHER; ETHANOL; WATER
    • SOLUBLE IN ALCOHOL, ETHER, AND OTHER COMMON ORGANIC SOLVENTS
    • 25 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 8.7
    • water; ether; chloroform; organic solvents
    • Miscible at room temperature (in ethanol)
    • 15%

  • Synonyms

    • CYCLOHEXANONE
    • 108-94-1
    • Ketohexamethylene
    • Pimelic ketone
    • Sextone
    • Nadone
    • Anone
    • Anon
    • Cyclohexanon
    • Hexanon
    • Hytrol O
    • ketocyclohexane
    • oxocyclohexane
    • Pimelin ketone
    • Cicloesanone
    • Cykloheksanon
    • Hytrolo
    • Cyclic ketone
    • NCI-C55005
    • Cyclohexanon [Dutch]
    • RCRA waste number U057
    • Caswell No. 270
    • Cicloesanone [Italian]
    • Cykloheksanon [Polish]
    • NSC 5711
    • CCRIS 5897
    • UNII-5QOR3YM052
    • MFCD00001625
    • HSDB 186
    • EINECS 203-631-1
    • UN1915
    • EPA Pesticide Chemical Code 025902
    • 5QOR3YM052
    • DTXSID6020359
    • CHEBI:17854
    • AI3-00041
    • NSC-5711
    • CYCLOHEXANONE [MI]
    • CYCLOHEXANONE [FHFI]
    • CYCLOHEXANONE [HSDB]
    • CYCLOHEXANONE [IARC]
    • CHEMBL18850
    • DTXCID00359
    • EC 203-631-1
    • UN 1915
    • CYCLOHEXANON (DUTCH)
    • CYCLOHEXANONE (IARC)
    • CYH
    • CICLOESANONE (ITALIAN)
    • CYKLOHEKSANON (POLISH)
    • CAS-108-94-1
    • RCRA waste no. U057
    • cylcohexanone
    • cylohexanone
    • cyclo-hexanone
    • 2-cyclohexanone
    • 4-cyclohexanone
    • Cyclohexanon(dutch)
    • Caswell no 270
    • Cyclohexanone ACS grade
    • BDBM6
    • Cyclohexanone, 99.8%
    • WLN: L6VTJ
    • bmse000405
    • CYCLOHEXANONE [INCI]
    • Cyclohexanone (ACGIH:OSHA)
    • MLS002152896
    • BIDD:ER0292
    • Cyclohexanone, LR, >=99%
    • Cyclohexanone, p.a., 99.0%
    • Cyclohexanone, AR, >=99.5%
    • NSC5711
    • Cyclohexanone, analytical standard
    • HMS3039C04
    • Tox21_202121
    • Tox21_302750
    • s6236
    • STL183287
    • AKOS000119815
    • DB02060
    • FC02353
    • Cyclohexanone, ACS reagent, >=99.0%
    • Cyclohexanone, ReagentPlus(R), 99.8%
    • NCGC00091786-01
    • NCGC00091786-02
    • NCGC00256489-01
    • NCGC00259670-01
    • 9075-99-4
    • SMR001224507
    • Cyclohexanone 5000 microg/mL in Methanol
    • Cyclohexanone, puriss., >=99.5% (GC)
    • Cyclohexanone, SAJ first grade, >=98.0%
    • DB-059799
    • Cyclohexanone, Selectophore(TM), >=99.5%
    • NS00001732
    • Cyclohexanone [UN1915] [Flammable liquid]
    • Cyclohexanone, JIS special grade, >=99.0%
    • Cyclohexanone, Vetec(TM) reagent grade, 98%
    • EN300-19567
    • C00414
    • Cyclohexanone, puriss. p.a., >=99.5% (GC)
    • Q409178
    • F0001-0185
    • Z104474256
    • 203-631-1

  • Applications

    Cyclohexanone (CAS 108-94-1) is a key cyclic ketone mainly serving as an intermediate oxidized to adipic acid and hydroxylated to ε-caprolactam for nylon-6 and nylon-66 production, and is widely employed as a medium-evaporating solvent for epoxy resins, vinyl chloride, cellulose acetate, oil-based paints, printing inks, adhesives and pesticides; in addition, it participates in the synthesis of plasticizers, surfactants, pharmaceutical intermediates, flavoring agents, and functions as a metal degreasing component, extraction solvent, and mold-release agent in rubber processing, thus occupying a pivotal position across numerous chemical supply chains and polymer-manufacturing industries.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 456.37
    methanol 531.92
    isopropanol 370.84
    water 3.24
    ethyl acetate 293.34
    n-propanol 354.99
    acetone 575.45
    n-butanol 292.16
    acetonitrile 558.93
    DMF 576.03
    toluene 96.36
    isobutanol 240.89
    1,4-dioxane 469.53
    methyl acetate 321.1
    THF 659.72
    2-butanone 392.16
    n-pentanol 191.63
    sec-butanol 269.99
    n-hexane 54.33
    ethylene glycol 99.02
    NMP 488.68
    cyclohexane 51.42
    DMSO 513.02
    n-butyl acetate 231.78
    n-octanol 144.47
    chloroform 1916.37
    n-propyl acetate 181.56
    acetic acid 835.07
    dichloromethane 1112.78
    cyclohexanone 457.47
    propylene glycol 163.48
    isopropyl acetate 162.74
    DMAc 334.57
    2-ethoxyethanol 216.14
    isopentanol 222.61
    n-heptane 35.13
    ethyl formate 221.7
    1,2-dichloroethane 467.68
    n-hexanol 212.93
    2-methoxyethanol 402.22
    isobutyl acetate 112.16
    tetrachloromethane 201.42
    n-pentyl acetate 193.38
    transcutol 1084.71
    n-heptanol 130.93
    ethylbenzene 73.07
    MIBK 141.81
    2-propoxyethanol 294.65
    tert-butanol 336.06
    MTBE 168.11
    2-butoxyethanol 235.86
    propionic acid 499.2
    o-xylene 72.44
    formic acid 208.73
    diethyl ether 217.36
    m-xylene 69.44
    p-xylene 118.85
    chlorobenzene 307.0
    dimethyl carbonate 84.21
    n-octane 16.95
    formamide 280.32
    cyclopentanone 657.48
    2-pentanone 251.91
    anisole 155.2
    cyclopentyl methyl ether 222.89
    gamma-butyrolactone 799.62
    1-methoxy-2-propanol 317.45
    pyridine 602.36
    3-pentanone 186.16
    furfural 646.44
    n-dodecane 14.2
    diethylene glycol 212.6
    diisopropyl ether 60.42
    tert-amyl alcohol 237.0
    acetylacetone 291.95
    n-hexadecane 15.56
    acetophenone 172.81
    methyl propionate 215.72
    isopentyl acetate 182.04
    trichloroethylene 1196.46
    n-nonanol 122.94
    cyclohexanol 213.82
    benzyl alcohol 166.48
    2-ethylhexanol 119.89
    isooctanol 102.28
    dipropyl ether 137.8
    1,2-dichlorobenzene 264.58
    ethyl lactate 94.57
    propylene carbonate 389.45
    n-methylformamide 374.15
    2-pentanol 191.66
    n-pentane 38.2
    1-propoxy-2-propanol 230.97
    1-methoxy-2-propyl acetate 173.66
    2-(2-methoxypropoxy) propanol 208.81
    mesitylene 47.92
    ε-caprolactone 417.93
    p-cymene 57.35
    epichlorohydrin 589.59
    1,1,1-trichloroethane 553.37
    2-aminoethanol 229.17
    morpholine-4-carbaldehyde 441.78
    sulfolane 684.29
    2,2,4-trimethylpentane 18.75
    2-methyltetrahydrofuran 430.15
    n-hexyl acetate 275.52
    isooctane 15.08
    2-(2-butoxyethoxy)ethanol 321.02
    sec-butyl acetate 113.02
    tert-butyl acetate 149.15
    decalin 28.22
    glycerin 218.41
    diglyme 497.91
    acrylic acid 478.96
    isopropyl myristate 90.76
    n-butyric acid 525.15
    acetyl acetate 202.7
    di(2-ethylhexyl) phthalate 94.01
    ethyl propionate 142.82
    nitromethane 917.61
    1,2-diethoxyethane 278.05
    benzonitrile 337.58
    trioctyl phosphate 66.56
    1-bromopropane 291.82
    gamma-valerolactone 637.55
    n-decanol 85.48
    triethyl phosphate 69.84
    4-methyl-2-pentanol 101.31
    propionitrile 376.45
    vinylene carbonate 378.44
    1,1,2-trichlorotrifluoroethane 494.75
    DMS 182.02
    cumene 58.63
    2-octanol 100.25
    2-hexanone 203.29
    octyl acetate 124.6
    limonene 80.91
    1,2-dimethoxyethane 314.73
    ethyl orthosilicate 68.61
    tributyl phosphate 88.89
    diacetone alcohol 208.84
    N,N-dimethylaniline 100.23
    acrylonitrile 516.77
    aniline 230.09
    1,3-propanediol 274.29
    bromobenzene 290.85
    dibromomethane 750.4
    1,1,2,2-tetrachloroethane 914.49
    2-methyl-cyclohexyl acetate 121.6
    tetrabutyl urea 101.61
    diisobutyl methanol 75.22
    2-phenylethanol 162.31
    styrene 106.38
    dioctyl adipate 137.12
    dimethyl sulfate 136.66
    ethyl butyrate 158.69
    methyl lactate 133.35
    butyl lactate 166.8
    diethyl carbonate 105.04
    propanediol butyl ether 247.15
    triethyl orthoformate 104.66
    p-tert-butyltoluene 51.77
    methyl 4-tert-butylbenzoate 165.86
    morpholine 508.5
    tert-butylamine 212.72
    n-dodecanol 61.92
    dimethoxymethane 201.21
    ethylene carbonate 282.17
    cyrene 141.2
    2-ethoxyethyl acetate 226.37
    2-ethylhexyl acetate 141.04
    1,2,4-trichlorobenzene 306.42
    4-methylpyridine 418.1
    dibutyl ether 171.23
    2,6-dimethyl-4-heptanol 75.22
    DEF 247.0
    dimethyl isosorbide 264.82
    tetrachloroethylene 614.2
    eugenol 174.97
    triacetin 252.64
    span 80 222.39
    1,4-butanediol 108.06
    1,1-dichloroethane 633.33
    2-methyl-1-pentanol 151.39
    methyl formate 236.41
    2-methyl-1-butanol 201.29
    n-decane 25.03
    butyronitrile 334.86
    3,7-dimethyl-1-octanol 132.72
    1-chlorooctane 95.02
    1-chlorotetradecane 34.48
    n-nonane 25.51
    undecane 17.92
    tert-butylcyclohexane 27.61
    cyclooctane 16.84
    cyclopentanol 323.88
    tetrahydropyran 414.69
    tert-amyl methyl ether 115.23
    2,5,8-trioxanonane 325.99
    1-hexene 167.55
    2-isopropoxyethanol 154.4
    2,2,2-trifluoroethanol 245.0
    methyl butyrate 209.34

    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

Botanical

Name CAS Botanical Proportion
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Tea Tree (USA-California) 1 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 0.1%
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.11%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.35%