Cycloheptanol

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  • Identifiers

    CAS number
    502-41-0

    Molecular formula
    C7H14O

    SMILES
    C1CCCC(CC1)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fermented 57.12%
    Mint 56.83%
    Solvent 55.97%
    Camphoreous 53.93%
    Ethereal 41.95%
    Alcoholic 40.83%
    Musty 39.4%
    Oily 37.87%
    Woody 37.5%
    Animal 31.13%

     

    Flavor
    Camphor 35.43%
    Minty 29.73%
    Animal 28.58%
    Phenol 27.61%
    Menthol 23.04%
    Medicinal 22.99%
    Ammoniacal 22.14%
    Beet 21.83%
    Soil 21.68%
    Alkaline 21.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.74 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    181°C

    Flash point

    • 71.96 ˚C est.

  • Synonyms

    • CYCLOHEPTANOL
    • 502-41-0
    • EINECS 207-936-0
    • AI3-36515
    • DTXSID5074713
    • NSC 52221
    • RefChem:580330
    • DTXCID2040787
    • 207-936-0
    • Suberol
    • MFCD00004150
    • Hydroxycycloheptane
    • Cycloheptanole
    • 1-cycloheptanol
    • Suberyl Alcohol
    • Cycloheptanol, 97%
    • SCHEMBL28337
    • SCHEMBL28338
    • CHEMBL503332
    • SCHEMBL1144330
    • SCHEMBL1144431
    • SCHEMBL1144484
    • SCHEMBL1379941
    • SCHEMBL4357722
    • SCHEMBL9108322
    • BDBM36178
    • NSC52221
    • NSC-52221
    • SBB061138
    • AKOS000119600
    • CS-W013633
    • MSK170721-100M
    • SY015813
    • DB-051738
    • NS00043092
    • ST51047194
    • Cycloheptanol Solution in Methanol, 100ug/mL
    • EN300-20138
    • D89285
    • F235579
    • Q20054513
    • InChI=1/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H
    • 502-41-0

  • Applications

    Cycloheptanol, CAS 502-41-0, is primarily used as an intermediate in chemical synthesis to access cycloalkane and other alicyclic derivatives; it is also employed as a fragrance component or intermediate in cosmetics and perfumery. It may serve as a solvent or reaction medium in certain industrial processes, and acts as a starting point for the preparation of derivatives used in coatings and inks as well as in the plastics sector. Additionally, cycloheptanol can function as a building block in pharmaceutical process chemistry at laboratory or industrial scales, and as a feedstock for various polymers and plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1763.14
    methanol 1858.22
    isopropanol 1312.9
    water 1.03
    ethyl acetate 1038.22
    n-propanol 1476.19
    acetone 1155.56
    n-butanol 1289.11
    acetonitrile 945.02
    DMF 896.88
    toluene 297.39
    isobutanol 860.86
    1,4-dioxane 1654.72
    methyl acetate 764.95
    THF 2691.97
    2-butanone 920.08
    n-pentanol 686.99
    sec-butanol 982.66
    n-hexane 322.49
    ethylene glycol 172.95
    NMP 949.8
    cyclohexane 443.31
    DMSO 1284.12
    n-butyl acetate 991.33
    n-octanol 293.16
    chloroform 2800.67
    n-propyl acetate 598.39
    acetic acid 1134.45
    dichloromethane 1961.98
    cyclohexanone 1321.49
    propylene glycol 296.97
    isopropyl acetate 505.17
    DMAc 403.2
    2-ethoxyethanol 640.27
    isopentanol 809.67
    n-heptane 296.33
    ethyl formate 659.36
    1,2-dichloroethane 1107.59
    n-hexanol 900.86
    2-methoxyethanol 1208.36
    isobutyl acetate 315.12
    tetrachloromethane 580.57
    n-pentyl acetate 512.33
    transcutol 1754.66
    n-heptanol 366.48
    ethylbenzene 129.06
    MIBK 383.55
    2-propoxyethanol 989.03
    tert-butanol 1069.42
    MTBE 709.58
    2-butoxyethanol 540.55
    propionic acid 1109.21
    o-xylene 155.55
    formic acid 312.6
    diethyl ether 1344.75
    m-xylene 166.08
    p-xylene 186.68
    chlorobenzene 578.13
    dimethyl carbonate 118.76
    n-octane 86.3
    formamide 430.44
    cyclopentanone 1539.44
    2-pentanone 827.12
    anisole 271.7
    cyclopentyl methyl ether 960.5
    gamma-butyrolactone 1796.93
    1-methoxy-2-propanol 836.02
    pyridine 1383.64
    3-pentanone 529.43
    furfural 1143.83
    n-dodecane 42.2
    diethylene glycol 519.76
    diisopropyl ether 287.1
    tert-amyl alcohol 727.8
    acetylacetone 547.77
    n-hexadecane 47.68
    acetophenone 241.16
    methyl propionate 566.78
    isopentyl acetate 629.42
    trichloroethylene 1741.93
    n-nonanol 263.1
    cyclohexanol 873.62
    benzyl alcohol 265.1
    2-ethylhexanol 473.64
    isooctanol 283.91
    dipropyl ether 916.24
    1,2-dichlorobenzene 444.26
    ethyl lactate 187.55
    propylene carbonate 871.07
    n-methylformamide 795.72
    2-pentanol 737.14
    n-pentane 311.14
    1-propoxy-2-propanol 848.68
    1-methoxy-2-propyl acetate 508.89
    2-(2-methoxypropoxy) propanol 294.03
    mesitylene 109.91
    ε-caprolactone 1152.74
    p-cymene 139.32
    epichlorohydrin 1363.07
    1,1,1-trichloroethane 1078.9
    2-aminoethanol 543.84
    morpholine-4-carbaldehyde 849.8
    sulfolane 1415.15
    2,2,4-trimethylpentane 77.58
    2-methyltetrahydrofuran 1724.57
    n-hexyl acetate 532.67
    isooctane 66.01
    2-(2-butoxyethoxy)ethanol 528.63
    sec-butyl acetate 314.96
    tert-butyl acetate 455.92
    decalin 95.7
    glycerin 347.25
    diglyme 952.03
    acrylic acid 740.13
    isopropyl myristate 189.35
    n-butyric acid 1526.31
    acetyl acetate 436.31
    di(2-ethylhexyl) phthalate 136.7
    ethyl propionate 421.2
    nitromethane 1353.43
    1,2-diethoxyethane 973.07
    benzonitrile 530.74
    trioctyl phosphate 124.57
    1-bromopropane 1036.49
    gamma-valerolactone 1549.83
    n-decanol 186.82
    triethyl phosphate 172.29
    4-methyl-2-pentanol 310.48
    propionitrile 970.44
    vinylene carbonate 716.1
    1,1,2-trichlorotrifluoroethane 859.73
    DMS 237.89
    cumene 93.56
    2-octanol 243.58
    2-hexanone 546.41
    octyl acetate 232.48
    limonene 257.13
    1,2-dimethoxyethane 979.6
    ethyl orthosilicate 189.21
    tributyl phosphate 172.57
    diacetone alcohol 435.51
    N,N-dimethylaniline 150.51
    acrylonitrile 951.22
    aniline 514.61
    1,3-propanediol 804.78
    bromobenzene 547.21
    dibromomethane 1581.26
    1,1,2,2-tetrachloroethane 1458.84
    2-methyl-cyclohexyl acetate 307.27
    tetrabutyl urea 192.59
    diisobutyl methanol 268.92
    2-phenylethanol 339.7
    styrene 194.29
    dioctyl adipate 231.51
    dimethyl sulfate 181.1
    ethyl butyrate 646.85
    methyl lactate 223.82
    butyl lactate 328.23
    diethyl carbonate 310.13
    propanediol butyl ether 380.53
    triethyl orthoformate 404.8
    p-tert-butyltoluene 130.59
    methyl 4-tert-butylbenzoate 232.8
    morpholine 1992.67
    tert-butylamine 805.38
    n-dodecanol 138.57
    dimethoxymethane 539.96
    ethylene carbonate 688.51
    cyrene 220.48
    2-ethoxyethyl acetate 485.82
    2-ethylhexyl acetate 496.03
    1,2,4-trichlorobenzene 460.34
    4-methylpyridine 842.39
    dibutyl ether 598.41
    2,6-dimethyl-4-heptanol 268.92
    DEF 735.08
    dimethyl isosorbide 483.84
    tetrachloroethylene 1188.15
    eugenol 224.32
    triacetin 327.22
    span 80 374.68
    1,4-butanediol 242.58
    1,1-dichloroethane 1268.06
    2-methyl-1-pentanol 422.62
    methyl formate 407.45
    2-methyl-1-butanol 706.25
    n-decane 84.94
    butyronitrile 1099.24
    3,7-dimethyl-1-octanol 294.39
    1-chlorooctane 244.99
    1-chlorotetradecane 83.81
    n-nonane 94.14
    undecane 55.86
    tert-butylcyclohexane 86.24
    cyclooctane 114.83
    cyclopentanol 1055.03
    tetrahydropyran 2126.93
    tert-amyl methyl ether 428.7
    2,5,8-trioxanonane 546.56
    1-hexene 690.16
    2-isopropoxyethanol 402.07
    2,2,2-trifluoroethanol 299.22
    methyl butyrate 600.49

    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