Cyclohexene

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  • Identifiers

    CAS number
    110-83-8

    Molecular formula
    C6H10

    SMILES
    C1CCC=CC1

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Citrus 45.92%
    Sweet 42.34%
    Musk 34.83%
    Gassy 32.01%
    Dry 31.18%
    Lemon 20.49%
    Amber 20.01%
    Waxy 18.38%
    Animal 17.45%
    Powdery 16.86%

     

    Flavor
    Ammoniacal 26.35%
    Animal 23.01%
    Shrimp 20.0%
    Alkaline 18.87%
    Tarry 17.78%
    Tar 17.54%
    Rotten 17.36%
    Terpentine 17.15%
    Beet 16.51%
    Soil 16.31%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor Threshold Low: 0.18 [mmHg]. Odor threshold from AIHA
    • Detection: 0.6 mg/cu m

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.35 (weak base)

    Molecular weight
    82.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -154 °F (NIOSH, 2024)
    • -103.5 °C
    • -104 °C
    • -154 °F

    Boiling point

    • 181 °F at 760 mmHg (NIOSH, 2024)
    • 83 °C at 760 mm Hg
    • 83 °C
    • 181 °F

    Flash point

    • -5.88 ˚C est.
    • 11 °F (NIOSH, 2024)
    • 11 °F
    • <20 °F (<-7 °C) (Closed cup)
    • 11 °F CC
    • -6 °C c.c.

    Solubility expt.

    • Insoluble (NIOSH, 2024)
    • MISCIBLE IN BENZENE, CARBON TETRACHLORIDE, PETROLEUM ETHER
    • Miscible with ethanol, ether, acetone, and benzene
    • In water, 213 mg/L at 25 °C
    • Solubility in water: none
    • Insoluble

  • Synonyms

    • CYCLOHEXENE
    • 110-83-8
    • Tetrahydrobenzene
    • Cyclohex-1-ene
    • Benzene tetrahydride
    • 1,2,3,4-Tetrahydrobenzene
    • Benzenetetrahydride
    • Hexanaphthylene
    • Cykloheksen
    • Benzene, tetrahydro-
    • 1-Cyclohexene
    • 3,4,5,6-Tetrahydrobenzene
    • Zyklohexen
    • Cykloheksen [Polish]
    • NSC 24835
    • HSDB 1624
    • EINECS 203-807-8
    • UNII-12L0P8F7GN
    • UN2256
    • BRN 0906737
    • 12L0P8F7GN
    • CCRIS 8739
    • CHEBI:36404
    • AI3-03146
    • CYCLOHEXENE [MI]
    • NSC-24835
    • CYCLOHEXENE [HSDB]
    • UN 2256
    • DTXSID9038717
    • EC 203-807-8
    • 4-05-00-00218 (Beilstein Handbook Reference)
    • perdeutero cyclohexene
    • CYKLOHEKSEN (POLISH)
    • 25012-94-6
    • MFCD00001539
    • cylcohexene
    • cyclo hexene
    • cyclo-hexene
    • cyclohexane N
    • Cyclohex1ene
    • 2-cyclohexen
    • Benzene, tetrahydro
    • CYCLOHEXENE RING
    • 1,3,4-Tetrahydrobenzene
    • WLN: L6UTJ
    • 1,2,3,4Tetrahydrobenzene
    • 3,4,5,6Tetrahydrobenzene
    • Cyclohexene (ACGIH:OSHA)
    • CHEMBL16396
    • Cyclohexene, analytical standard
    • DTXCID7018717
    • NSC24835
    • MSK3551-100M
    • STL445673
    • AKOS000119959
    • AKOS025243963
    • BP-31020
    • FC145503
    • Cyclohexene [UN2256] [Flammable liquid]
    • Cyclohexene Solution in Methanol, 100ug/mL
    • NS00008978
    • EN300-19682
    • A802251
    • Cyclohexene, inhibitor-free, ReagentPlus(R), 99%
    • Q413328
    • F0001-0225
    • Z104474726
    • Cyclohexene, contains 100 ppm BHT as inhibitor, >=99.0%
    • 203-807-8

  • Applications

    Cyclohexene (CAS 110-83-8) is an industrial feedstock with several key applications: it serves as a precursor for oxidation to adipic acid and nylon-6,6 derivatives; it can be hydrated to cyclohexanol and cyclohexanone, important intermediates for solvents, resins, and polymers; it can be epoxidized to cyclohexene oxide, a versatile building block for epoxy resins and polyurethanes; it is used as a reactive diluent or solvent in coatings, inks, and adhesives; and it provides a feedstock for the synthesis of specialty cyclic polymers and industrial rubbers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.02
    methanol 55.05
    isopropanol 66.18
    water 0.05
    ethyl acetate 269.28
    n-propanol 90.64
    acetone 112.37
    n-butanol 105.82
    acetonitrile 109.43
    DMF 100.27
    toluene 218.23
    isobutanol 60.21
    1,4-dioxane 307.24
    methyl acetate 144.52
    THF 457.05
    2-butanone 158.47
    n-pentanol 73.23
    sec-butanol 95.24
    n-hexane 134.94
    ethylene glycol 13.67
    NMP 140.91
    cyclohexane 166.86
    DMSO 143.28
    n-butyl acetate 333.26
    n-octanol 71.61
    chloroform 712.33
    n-propyl acetate 136.86
    acetic acid 75.26
    dichloromethane 524.29
    cyclohexanone 211.89
    propylene glycol 29.03
    isopropyl acetate 163.79
    DMAc 107.75
    2-ethoxyethanol 82.44
    isopentanol 89.72
    n-heptane 212.41
    ethyl formate 71.67
    1,2-dichloroethane 310.95
    n-hexanol 163.22
    2-methoxyethanol 109.8
    isobutyl acetate 92.15
    tetrachloromethane 147.24
    n-pentyl acetate 118.88
    transcutol 462.89
    n-heptanol 72.26
    ethylbenzene 109.94
    MIBK 113.91
    2-propoxyethanol 191.26
    tert-butanol 97.83
    MTBE 159.09
    2-butoxyethanol 100.38
    propionic acid 85.22
    o-xylene 119.13
    formic acid 11.56
    diethyl ether 290.64
    m-xylene 125.19
    p-xylene 105.74
    chlorobenzene 209.92
    dimethyl carbonate 48.95
    n-octane 55.96
    formamide 18.79
    cyclopentanone 250.62
    2-pentanone 180.56
    anisole 148.17
    cyclopentyl methyl ether 263.08
    gamma-butyrolactone 243.33
    1-methoxy-2-propanol 122.51
    pyridine 330.97
    3-pentanone 157.98
    furfural 203.25
    n-dodecane 30.96
    diethylene glycol 87.01
    diisopropyl ether 108.62
    tert-amyl alcohol 107.46
    acetylacetone 175.9
    n-hexadecane 34.27
    acetophenone 116.27
    methyl propionate 142.72
    isopentyl acetate 221.28
    trichloroethylene 518.55
    n-nonanol 71.89
    cyclohexanol 113.41
    benzyl alcohol 72.41
    2-ethylhexanol 153.99
    isooctanol 60.43
    dipropyl ether 382.37
    1,2-dichlorobenzene 185.23
    ethyl lactate 50.99
    propylene carbonate 181.64
    n-methylformamide 42.53
    2-pentanol 94.12
    n-pentane 110.77
    1-propoxy-2-propanol 206.61
    1-methoxy-2-propyl acetate 228.46
    2-(2-methoxypropoxy) propanol 122.53
    mesitylene 83.99
    ε-caprolactone 210.54
    p-cymene 108.25
    epichlorohydrin 291.65
    1,1,1-trichloroethane 380.72
    2-aminoethanol 34.24
    morpholine-4-carbaldehyde 164.53
    sulfolane 239.1
    2,2,4-trimethylpentane 39.21
    2-methyltetrahydrofuran 348.96
    n-hexyl acetate 139.26
    isooctane 35.77
    2-(2-butoxyethoxy)ethanol 162.42
    sec-butyl acetate 112.91
    tert-butyl acetate 154.78
    decalin 76.63
    glycerin 36.39
    diglyme 316.77
    acrylic acid 67.7
    isopropyl myristate 84.41
    n-butyric acid 164.6
    acetyl acetate 181.6
    di(2-ethylhexyl) phthalate 61.76
    ethyl propionate 146.25
    nitromethane 106.62
    1,2-diethoxyethane 356.69
    benzonitrile 136.07
    trioctyl phosphate 42.5
    1-bromopropane 344.75
    gamma-valerolactone 206.3
    n-decanol 57.55
    triethyl phosphate 95.41
    4-methyl-2-pentanol 61.67
    propionitrile 139.56
    vinylene carbonate 132.79
    1,1,2-trichlorotrifluoroethane 181.39
    DMS 101.85
    cumene 70.51
    2-octanol 51.61
    2-hexanone 136.89
    octyl acetate 94.8
    limonene 171.07
    1,2-dimethoxyethane 182.8
    ethyl orthosilicate 104.11
    tributyl phosphate 58.36
    diacetone alcohol 113.75
    N,N-dimethylaniline 98.64
    acrylonitrile 126.86
    aniline 144.07
    1,3-propanediol 49.06
    bromobenzene 289.03
    dibromomethane 441.54
    1,1,2,2-tetrachloroethane 438.08
    2-methyl-cyclohexyl acetate 153.56
    tetrabutyl urea 73.15
    diisobutyl methanol 101.99
    2-phenylethanol 118.84
    styrene 148.28
    dioctyl adipate 111.85
    dimethyl sulfate 66.21
    ethyl butyrate 290.64
    methyl lactate 53.44
    butyl lactate 73.8
    diethyl carbonate 167.96
    propanediol butyl ether 69.05
    triethyl orthoformate 197.02
    p-tert-butyltoluene 104.37
    methyl 4-tert-butylbenzoate 109.69
    morpholine 288.39
    tert-butylamine 91.43
    n-dodecanol 50.41
    dimethoxymethane 117.96
    ethylene carbonate 117.59
    cyrene 77.1
    2-ethoxyethyl acetate 147.42
    2-ethylhexyl acetate 209.4
    1,2,4-trichlorobenzene 204.45
    4-methylpyridine 242.94
    dibutyl ether 231.8
    2,6-dimethyl-4-heptanol 101.99
    DEF 174.77
    dimethyl isosorbide 211.79
    tetrachloroethylene 274.65
    eugenol 88.3
    triacetin 137.35
    span 80 128.06
    1,4-butanediol 19.08
    1,1-dichloroethane 298.42
    2-methyl-1-pentanol 75.63
    methyl formate 30.93
    2-methyl-1-butanol 89.61
    n-decane 53.28
    butyronitrile 163.38
    3,7-dimethyl-1-octanol 91.9
    1-chlorooctane 106.25
    1-chlorotetradecane 50.96
    n-nonane 59.8
    undecane 38.08
    tert-butylcyclohexane 59.21
    cyclooctane 98.23
    cyclopentanol 95.12
    tetrahydropyran 349.18
    tert-amyl methyl ether 144.35
    2,5,8-trioxanonane 230.13
    1-hexene 217.0
    2-isopropoxyethanol 74.57
    2,2,2-trifluoroethanol 23.8
    methyl butyrate 147.33

    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