Cyclohexane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    110-82-7

    Molecular formula
    C6H12

    SMILES
    C1CCCCC1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 732.75

  • Odor profile

    Sweet 64.39%
    Musk 52.24%
    Dry 41.24%
    Amber 36.16%
    Woody 31.14%
    Animal 26.21%
    Waxy 21.06%
    Powdery 19.67%
    Clean 16.82%
    Cedar 16.56%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.52 [mmHg]. Odor Threshold High: 784.0 [mmHg]. Detection odor threshold from AIHA (mean = 780 ppm)
    • The reported odor threshold is approximately 25 ppm.
    • Detection in air: 3.56x10-5 g/l
    • Detection in air: 2.02x10-4 g/l

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    84.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 43.7 °F (NTP, 1992)
    • 6.47 °C
    • 6.5 °C
    • 7 °C
    • 44 °F

    Boiling point

    • 177.3 °F at 760 mmHg (NTP, 1992)
    • 80.7 °C at 760 mm Hg
    • 80.00 to 82.00 °C. @ 760.00 mm Hg
    • 81 °C
    • 177 °F

    Flash point est.
    -9.63 ˚C

    Flash point expt.

    • -4 °F (NTP, 1992)
    • -4 °F
    • 1 °F (-18 °C) (closed cup)
    • -18 °C c.c.
    • 0 °F

    Solubility expt.

    • less than 1 mg/mL at 63 °F (NTP, 1992)
    • In water, 55 mg/L at 25 °C
    • Solubility in water at 23.5 °C (w/w): 0.0052%
    • Miscible in ethanol, ether, acetone, benzene, ligroin, carbon tetrachloride
    • Miscible with olive oil
    • 100 mL of methanol dissolves 57 grams cyclohexane at 20 °C
    • 0.055 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 0.0058 (very poor)
    • Insoluble

  • Synonyms

    • CYCLOHEXANE
    • 110-82-7
    • Hexamethylene
    • Hexahydrobenzene
    • Hexanaphthene
    • Cyclohexan
    • Cykloheksan
    • Benzene, hexahydro-
    • Cicloesano
    • Cyclohexaan
    • Benzenehexahydride
    • Ciclohexano
    • RCRA waste number U056
    • Acid red 300
    • Caswell No. 269
    • hexahydro-Benzene
    • HSDB 60
    • CCRIS 3928
    • cyclo-hexane
    • NSC 406835
    • EINECS 203-806-2
    • UNII-48K5MKG32S
    • EPA Pesticide Chemical Code 025901
    • NSC-406835
    • 48K5MKG32S
    • DTXSID4021923
    • CHEBI:29005
    • AI3-08222
    • MFCD00003814
    • 12217-02-6
    • UN1145
    • DTXCID701923
    • EC 203-806-2
    • Cyclohexane, HPLC Grade
    • CYCLOHEXANE (MART.)
    • CYCLOHEXANE [MART.]
    • Cyclohexaan [Dutch]
    • Cyclohexan [German]
    • Cicloesano [Italian]
    • Cykloheksan [Polish]
    • Cyclohexane, ACS reagent, >=99%
    • Cyclohexane, for HPLC, >=99.7%
    • Benzene hexahydride
    • RCRA waste no. U056
    • cylcohexane
    • cylohexane
    • Zyklohexan
    • Cyclohexane HPLC grade
    • Cyclohexane, for HPLC
    • Cyclohexane, ACS Grade
    • CYCLOHEXANE [MI]
    • CYCLOHEXANE [FCC]
    • CYCLOHEXANE [HSDB]
    • bmse000545
    • WLN: L6TJ
    • CYCLOHEXANE [USP-RS]
    • ghl.PD_Mitscher_leg0.242
    • Cyclohexane, LR, >=99%
    • CHEMBL15980
    • Cyclohexane, JIS special grade
    • Cyclohexane, analytical standard
    • Cyclohexane, p.a., 99.0%
    • Cyclohexane [for HPLC Solvent]
    • Cyclohexane, anhydrous, 99.5%
    • Cyclohexane, AR, >=99.5%
    • DTXSID70185595
    • BCP08072
    • Tox21_201087
    • NSC406835
    • STL283116
    • Cyclohexane, for HPLC, >=99.9%
    • AKOS000119975
    • Cyclohexane, HPLC grade, >=99.9%
    • UN 1145
    • Cyclohexane 2000 microg/mL in Methanol
    • NCGC00248918-01
    • NCGC00258639-01
    • CAS-110-82-7
    • Cyclohexane, puriss., >=99.5% (GC)
    • Cyclohexane, SAJ first grade, >=99.0%
    • Cyclohexane, Laboratory Reagent, >=99.8%
    • Cyclohexane, p.a., ACS reagent, 99.0%
    • Cyclohexane [UN1145] [Flammable liquid]
    • Cyclohexane, UV HPLC spectroscopic, 99.5%
    • NS00003725
    • Cyclohexane, ACS spectrophotometric grade, >=99%
    • Q211433
    • InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H
    • Cyclohexane, HPLC UV/IR isocratic grade, min. 99.9%
    • Cyclohexane, puriss. p.a., ACS reagent, >=99.5% (GC)
    • ASTM Method D5191 Vapor Pressure - 22.5 kPa (3.26 psi)
    • Cyclohexane, Pharmaceutical Secondary Standard; Certified Reference Material
    • 203-806-2

  • Applications

    Cyclohexane (CAS 110-82-7) is a nonpolar cyclic hydrocarbon used predominantly as a feedstock oxidized to cyclohexanone/cyclohexanol (KA oil) and then converted into adipic acid and caprolactam for the manufacture of nylon 6,6 and nylon 6; it also serves as a fast-evaporating solvent for paints, varnishes, inks, adhesives and rubber, a reaction medium/diluent in Ziegler–Natta polymerization of polyolefins, a degreasing and metal surface-cleaning solvent, a nonpolar extraction solvent for oils, waxes and flavors, a process solvent in agrochemical and pharmaceutical production, and a low-polarity solvent for chromatography and spectroscopy; it is frequently adopted as a less toxic substitute for benzene in a variety of industrial solvent duties.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.88
    methanol 68.32
    isopropanol 90.72
    water 0.03
    ethyl acetate 371.08
    n-propanol 122.73
    acetone 160.98
    n-butanol 141.47
    acetonitrile 134.62
    DMF 125.2
    toluene 284.54
    isobutanol 86.78
    1,4-dioxane 430.09
    methyl acetate 192.28
    THF 819.69
    2-butanone 236.56
    n-pentanol 93.97
    sec-butanol 131.96
    n-hexane 219.77
    ethylene glycol 14.96
    NMP 214.49
    cyclohexane 313.78
    DMSO 177.17
    n-butyl acetate 573.39
    n-octanol 102.78
    chloroform 1018.78
    n-propyl acetate 220.03
    acetic acid 107.72
    dichloromethane 757.26
    cyclohexanone 390.44
    propylene glycol 34.01
    isopropyl acetate 246.77
    DMAc 124.41
    2-ethoxyethanol 99.71
    isopentanol 125.82
    n-heptane 417.79
    ethyl formate 120.81
    1,2-dichloroethane 439.15
    n-hexanol 240.86
    2-methoxyethanol 139.26
    isobutyl acetate 147.02
    tetrachloromethane 231.74
    n-pentyl acetate 202.86
    transcutol 558.71
    n-heptanol 105.09
    ethylbenzene 151.58
    MIBK 158.98
    2-propoxyethanol 261.82
    tert-butanol 137.77
    MTBE 224.16
    2-butoxyethanol 148.55
    propionic acid 123.94
    o-xylene 151.52
    formic acid 13.79
    diethyl ether 399.48
    m-xylene 152.33
    p-xylene 153.1
    chlorobenzene 307.04
    dimethyl carbonate 63.97
    n-octane 103.04
    formamide 22.91
    cyclopentanone 465.66
    2-pentanone 255.95
    anisole 196.99
    cyclopentyl methyl ether 411.62
    gamma-butyrolactone 456.28
    1-methoxy-2-propanol 153.67
    pyridine 484.3
    3-pentanone 224.63
    furfural 339.84
    n-dodecane 48.57
    diethylene glycol 108.34
    diisopropyl ether 157.45
    tert-amyl alcohol 152.7
    acetylacetone 260.1
    n-hexadecane 55.03
    acetophenone 155.2
    methyl propionate 196.53
    isopentyl acetate 382.95
    trichloroethylene 782.06
    n-nonanol 106.09
    cyclohexanol 173.3
    benzyl alcohol 93.94
    2-ethylhexanol 253.37
    isooctanol 92.0
    dipropyl ether 702.41
    1,2-dichlorobenzene 274.15
    ethyl lactate 75.8
    propylene carbonate 325.79
    n-methylformamide 58.12
    2-pentanol 133.1
    n-pentane 161.97
    1-propoxy-2-propanol 325.71
    1-methoxy-2-propyl acetate 355.82
    2-(2-methoxypropoxy) propanol 161.81
    mesitylene 107.23
    ε-caprolactone 367.28
    p-cymene 176.27
    epichlorohydrin 463.81
    1,1,1-trichloroethane 589.55
    2-aminoethanol 40.32
    morpholine-4-carbaldehyde 221.91
    sulfolane 418.47
    2,2,4-trimethylpentane 58.05
    2-methyltetrahydrofuran 585.72
    n-hexyl acetate 221.34
    isooctane 50.19
    2-(2-butoxyethoxy)ethanol 223.13
    sec-butyl acetate 177.31
    tert-butyl acetate 243.64
    decalin 119.13
    glycerin 44.39
    diglyme 441.18
    acrylic acid 99.91
    isopropyl myristate 137.96
    n-butyric acid 243.29
    acetyl acetate 275.66
    di(2-ethylhexyl) phthalate 82.89
    ethyl propionate 238.87
    nitromethane 143.71
    1,2-diethoxyethane 511.49
    benzonitrile 190.43
    trioctyl phosphate 67.27
    1-bromopropane 477.76
    gamma-valerolactone 368.15
    n-decanol 82.94
    triethyl phosphate 166.61
    4-methyl-2-pentanol 83.14
    propionitrile 198.82
    vinylene carbonate 225.2
    1,1,2-trichlorotrifluoroethane 267.29
    DMS 140.21
    cumene 97.31
    2-octanol 77.79
    2-hexanone 216.58
    octyl acetate 147.11
    limonene 301.86
    1,2-dimethoxyethane 271.35
    ethyl orthosilicate 175.57
    tributyl phosphate 94.22
    diacetone alcohol 162.56
    N,N-dimethylaniline 122.19
    acrylonitrile 184.34
    aniline 187.25
    1,3-propanediol 65.65
    bromobenzene 411.21
    dibromomethane 621.13
    1,1,2,2-tetrachloroethane 673.51
    2-methyl-cyclohexyl acetate 254.86
    tetrabutyl urea 113.51
    diisobutyl methanol 175.47
    2-phenylethanol 164.7
    styrene 190.82
    dioctyl adipate 174.45
    dimethyl sulfate 85.58
    ethyl butyrate 532.13
    methyl lactate 72.73
    butyl lactate 122.74
    diethyl carbonate 298.29
    propanediol butyl ether 89.18
    triethyl orthoformate 357.98
    p-tert-butyltoluene 173.53
    methyl 4-tert-butylbenzoate 160.61
    morpholine 412.15
    tert-butylamine 134.92
    n-dodecanol 71.24
    dimethoxymethane 152.06
    ethylene carbonate 202.53
    cyrene 108.65
    2-ethoxyethyl acetate 207.57
    2-ethylhexyl acetate 364.99
    1,2,4-trichlorobenzene 297.3
    4-methylpyridine 337.87
    dibutyl ether 410.67
    2,6-dimethyl-4-heptanol 175.47
    DEF 238.82
    dimethyl isosorbide 318.11
    tetrachloroethylene 428.24
    eugenol 121.25
    triacetin 198.54
    span 80 189.45
    1,4-butanediol 22.49
    1,1-dichloroethane 447.86
    2-methyl-1-pentanol 95.6
    methyl formate 46.4
    2-methyl-1-butanol 121.5
    n-decane 93.65
    butyronitrile 229.32
    3,7-dimethyl-1-octanol 140.39
    1-chlorooctane 175.91
    1-chlorotetradecane 76.45
    n-nonane 106.76
    undecane 62.78
    tert-butylcyclohexane 93.9
    cyclooctane 160.24
    cyclopentanol 162.4
    tetrahydropyran 607.68
    tert-amyl methyl ether 207.08
    2,5,8-trioxanonane 306.0
    1-hexene 331.45
    2-isopropoxyethanol 93.04
    2,2,2-trifluoroethanol 33.5
    methyl butyrate 258.7

    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
Ginger (Sri Lanka) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.05%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 0.01%
Bacuri fruit (Brazil) Platonia insignis M., fam. Guttiferae 2.0%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 1.7%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.34%