Cycloheptane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    291-64-5

    Molecular formula
    C7H14

    SMILES
    C1CCCCCC1

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    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%

     

    Flavor
    Animal 28.65%
    Alkane 22.06%
    Ammoniacal 20.95%
    Shrimp 19.48%
    Alkaline 19.29%
    Rotten 18.04%
    Beet 17.79%
    Tar 17.59%
    Soil 17.48%
    Tarry 17.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.55 (weak base)

    Molecular weight
    98.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 10.4 °F (USCG, 1999)
    • -8.0 °C

    Boiling point

    • 245.3 °F at 760 mmHg (USCG, 1999)
    • 118.48 °C at 760 mm Hg

    Flash point

    • 9.7 ˚C est.
    • 43 °F (USCG, 1999)
    • 6 °C (43 °F) (Closed cup)
    • <70 °F (<21 °C) (Closed cup)

    Solubility expt.

    • In water, 30 mg/L at 25 °C
    • Very soluble in ethanol and ether; soluble in benzene, and chloroform

  • Synonyms

    • CYCLOHEPTANE
    • 291-64-5
    • Suberane
    • Heptamethylene
    • UNII-VTZ53P34JA
    • VTZ53P34JA
    • HSDB 59
    • NSC 5164
    • NSC-5164
    • EINECS 206-030-2
    • DTXSID0074269
    • RefChem:5717
    • DTXCID1037931
    • 206-030-2
    • MFCD00004147
    • cycloheptan
    • UN2241
    • Cycloheptane, 98%
    • SCHEMBL892
    • SCHEMBL2315
    • SCHEMBL8198
    • HEPTAMETHYLENE [HSDB]
    • SCHEMBL101586
    • SCHEMBL113561
    • SCHEMBL132497
    • SCHEMBL333890
    • CHEMBL453194
    • SCHEMBL1672487
    • SCHEMBL1723224
    • SCHEMBL2232677
    • SCHEMBL2466994
    • SCHEMBL3029005
    • SCHEMBL5397984
    • SCHEMBL7689031
    • SCHEMBL7689970
    • SCHEMBL7689983
    • SCHEMBL7694325
    • SCHEMBL7695201
    • SCHEMBL7695861
    • SCHEMBL7696851
    • SCHEMBL7697307
    • SCHEMBL7697373
    • NSC5164
    • SBB060406
    • AKOS015903170
    • DB-047533
    • Cycloheptane [UN2241] [Flammable liquid]
    • NS00042145
    • ST51046592
    • D89252
    • Q423957
    • InChI=1/C7H14/c1-2-4-6-7-5-3-1/h1-7H
    • 291-64-5

  • Applications

    Cycloheptane (CAS 291-64-5) is used primarily as a nonpolar solvent and diluent in industrial manufacturing and laboratory settings, notably in coatings, inks, and adhesive formulations; it also serves as a reaction solvent and/or intermediate in organic synthesis; it can function as a processing solvent or swelling agent in polymer and plastics processing; it is employed as a cleaning and degreasing solvent in maintenance and electronics manufacturing; and it may be used as a nonpolar solvent in analytical methods or as a diluent in formulation research, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 122.67
    methanol 93.0
    isopropanol 110.4
    water 0.03
    ethyl acetate 615.91
    n-propanol 160.53
    acetone 247.53
    n-butanol 182.39
    acetonitrile 231.83
    DMF 255.65
    toluene 540.66
    isobutanol 117.12
    1,4-dioxane 737.18
    methyl acetate 328.2
    THF 1195.34
    2-butanone 371.35
    n-pentanol 122.44
    sec-butanol 165.06
    n-hexane 298.3
    ethylene glycol 16.76
    NMP 430.26
    cyclohexane 479.63
    DMSO 313.76
    n-butyl acetate 899.87
    n-octanol 130.72
    chloroform 1754.82
    n-propyl acetate 392.91
    acetic acid 144.5
    dichloromethane 1408.11
    cyclohexanone 640.69
    propylene glycol 35.21
    isopropyl acetate 423.94
    DMAc 250.84
    2-ethoxyethanol 150.81
    isopentanol 174.74
    n-heptane 550.81
    ethyl formate 204.92
    1,2-dichloroethane 863.91
    n-hexanol 278.44
    2-methoxyethanol 203.14
    isobutyl acetate 260.3
    tetrachloromethane 443.0
    n-pentyl acetate 364.45
    transcutol 858.01
    n-heptanol 136.43
    ethylbenzene 291.28
    MIBK 260.73
    2-propoxyethanol 317.03
    tert-butanol 184.09
    MTBE 356.45
    2-butoxyethanol 203.17
    propionic acid 172.95
    o-xylene 302.65
    formic acid 19.46
    diethyl ether 642.73
    m-xylene 287.76
    p-xylene 315.7
    chlorobenzene 615.86
    dimethyl carbonate 114.79
    n-octane 136.5
    formamide 37.31
    cyclopentanone 766.42
    2-pentanone 388.46
    anisole 408.05
    cyclopentyl methyl ether 670.58
    gamma-butyrolactone 771.21
    1-methoxy-2-propanol 206.45
    pyridine 974.85
    3-pentanone 381.41
    furfural 650.72
    n-dodecane 65.55
    diethylene glycol 123.32
    diisopropyl ether 260.47
    tert-amyl alcohol 215.94
    acetylacetone 456.4
    n-hexadecane 75.5
    acetophenone 322.73
    methyl propionate 320.1
    isopentyl acetate 640.01
    trichloroethylene 1472.16
    n-nonanol 136.58
    cyclohexanol 242.92
    benzyl alcohol 170.69
    2-ethylhexanol 320.79
    isooctanol 126.73
    dipropyl ether 1047.57
    1,2-dichlorobenzene 586.98
    ethyl lactate 119.87
    propylene carbonate 544.78
    n-methylformamide 100.88
    2-pentanol 174.43
    n-pentane 208.62
    1-propoxy-2-propanol 411.89
    1-methoxy-2-propyl acetate 558.01
    2-(2-methoxypropoxy) propanol 230.33
    mesitylene 209.32
    ε-caprolactone 632.1
    p-cymene 299.12
    epichlorohydrin 794.1
    1,1,1-trichloroethane 1111.44
    2-aminoethanol 48.15
    morpholine-4-carbaldehyde 420.29
    sulfolane 755.64
    2,2,4-trimethylpentane 81.16
    2-methyltetrahydrofuran 915.69
    n-hexyl acetate 366.65
    isooctane 70.75
    2-(2-butoxyethoxy)ethanol 325.9
    sec-butyl acetate 327.69
    tert-butyl acetate 451.13
    decalin 193.17
    glycerin 50.32
    diglyme 727.48
    acrylic acid 140.01
    isopropyl myristate 233.66
    n-butyric acid 337.48
    acetyl acetate 462.23
    di(2-ethylhexyl) phthalate 136.61
    ethyl propionate 432.4
    nitromethane 248.28
    1,2-diethoxyethane 861.96
    benzonitrile 391.78
    trioctyl phosphate 104.72
    1-bromopropane 826.11
    gamma-valerolactone 642.54
    n-decanol 102.99
    triethyl phosphate 284.72
    4-methyl-2-pentanol 112.06
    propionitrile 340.09
    vinylene carbonate 401.05
    1,1,2-trichlorotrifluoroethane 448.99
    DMS 248.46
    cumene 184.69
    2-octanol 110.04
    2-hexanone 350.49
    octyl acetate 227.35
    limonene 504.84
    1,2-dimethoxyethane 496.63
    ethyl orthosilicate 294.16
    tributyl phosphate 158.27
    diacetone alcohol 264.27
    N,N-dimethylaniline 251.65
    acrylonitrile 328.37
    aniline 321.47
    1,3-propanediol 84.6
    bromobenzene 848.61
    dibromomethane 1107.34
    1,1,2,2-tetrachloroethane 1280.7
    2-methyl-cyclohexyl acetate 428.11
    tetrabutyl urea 197.49
    diisobutyl methanol 258.79
    2-phenylethanol 259.05
    styrene 394.44
    dioctyl adipate 299.41
    dimethyl sulfate 161.32
    ethyl butyrate 892.62
    methyl lactate 108.91
    butyl lactate 190.57
    diethyl carbonate 520.8
    propanediol butyl ether 120.09
    triethyl orthoformate 607.33
    p-tert-butyltoluene 285.73
    methyl 4-tert-butylbenzoate 276.08
    morpholine 677.68
    tert-butylamine 179.64
    n-dodecanol 90.65
    dimethoxymethane 265.85
    ethylene carbonate 363.91
    cyrene 175.85
    2-ethoxyethyl acetate 378.25
    2-ethylhexyl acetate 614.26
    1,2,4-trichlorobenzene 601.94
    4-methylpyridine 694.7
    dibutyl ether 607.12
    2,6-dimethyl-4-heptanol 258.79
    DEF 431.95
    dimethyl isosorbide 513.48
    tetrachloroethylene 835.91
    eugenol 205.94
    triacetin 330.26
    span 80 269.29
    1,4-butanediol 28.35
    1,1-dichloroethane 785.16
    2-methyl-1-pentanol 139.12
    methyl formate 82.19
    2-methyl-1-butanol 168.33
    n-decane 121.9
    butyronitrile 356.2
    3,7-dimethyl-1-octanol 193.83
    1-chlorooctane 243.18
    1-chlorotetradecane 113.93
    n-nonane 140.24
    undecane 83.58
    tert-butylcyclohexane 145.01
    cyclooctane 251.7
    cyclopentanol 223.81
    tetrahydropyran 955.95
    tert-amyl methyl ether 334.21
    2,5,8-trioxanonane 484.25
    1-hexene 485.88
    2-isopropoxyethanol 132.43
    2,2,2-trifluoroethanol 50.26
    methyl butyrate 469.69

    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