4-Heptylcyclohexanol

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  • Identifiers

    CAS number
    106377-16-6

    Molecular formula
    C13H26O

    SMILES
    CCCCCCCC1CCC(CC1)O

  • Odor profile

    Fragrance
    Floral 79.83%
    Waxy 58.3%
    Fruity 52.14%
    Rose 47.51%
    Fresh 47.04%
    Citrus 45.1%
    Clean 44.97%
    Fatty 44.96%
    Oily 43.51%
    Sweet 36.74%

     

    Flavor
    Waxy 46.1%
    Fatty 45.64%
    Fruity 35.69%
    Fresh 34.29%
    Sweet 32.03%
    Coconut 30.75%
    Creamy 28.27%
    Fat 28.12%
    Mild 27.8%
    Musty 27.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.65 (weak base)

    Molecular weight
    198.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 124.73 ˚C est.

  • Synonyms

    • 4-heptylcyclohexanol
    • 4-heptylcyclohexan-1-ol
    • SCHEMBL1154284
    • F94854
    • 106377-16-6

  • Applications

    4-Heptylcyclohexanol, CAS 106377-16-6, is primarily used in fragrance chemistry as a fragrance ingredient and odorant, where its bulky heptyl substituent on the cyclohexanol ring contributes woody and green notes and can function as a fixative or scent modifier in perfumery; it is frequently evaluated as an aroma intermediate for synthesizing related fragrance compounds and may serve as a processing aid in fragrance concentrate formulations. In cosmetics and personal care, it can be used as a fragrance component in scented products; in coatings and inks, it may be employed as a fragrance additive to impart aroma during application. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4963.17
    methanol 2005.24
    isopropanol 6279.7
    water 0.01
    ethyl acetate 7256.24
    n-propanol 4925.89
    acetone 6057.96
    n-butanol 5336.67
    acetonitrile 2702.51
    DMF 1786.32
    toluene 1652.26
    isobutanol 3596.68
    1,4-dioxane 6862.39
    methyl acetate 3095.16
    THF 11535.96
    2-butanone 5853.74
    n-pentanol 3031.7
    sec-butanol 4800.8
    n-hexane 2620.79
    ethylene glycol 86.95
    NMP 790.53
    cyclohexane 2594.57
    DMSO 3040.36
    n-butyl acetate 6463.16
    n-octanol 1015.78
    chloroform 5377.32
    n-propyl acetate 4345.83
    acetic acid 829.32
    dichloromethane 5235.27
    cyclohexanone 5146.18
    propylene glycol 361.09
    isopropyl acetate 4974.88
    DMAc 1261.17
    2-ethoxyethanol 2581.04
    isopentanol 4599.88
    n-heptane 1485.51
    ethyl formate 1761.38
    1,2-dichloroethane 4443.31
    n-hexanol 4327.17
    2-methoxyethanol 3689.59
    isobutyl acetate 2368.26
    tetrachloromethane 1087.41
    n-pentyl acetate 2409.18
    transcutol 9429.78
    n-heptanol 1311.82
    ethylbenzene 782.68
    MIBK 3342.58
    2-propoxyethanol 4579.92
    tert-butanol 7916.23
    MTBE 10877.37
    2-butoxyethanol 2009.7
    propionic acid 1218.06
    o-xylene 713.27
    formic acid 72.21
    diethyl ether 12415.39
    m-xylene 973.27
    p-xylene 836.25
    chlorobenzene 1379.16
    dimethyl carbonate 369.78
    n-octane 361.1
    formamide 177.52
    cyclopentanone 3997.68
    2-pentanone 6373.16
    anisole 1387.98
    cyclopentyl methyl ether 4926.99
    gamma-butyrolactone 2851.37
    1-methoxy-2-propanol 4050.54
    pyridine 3665.8
    3-pentanone 3088.14
    furfural 1511.23
    n-dodecane 146.24
    diethylene glycol 1138.31
    diisopropyl ether 3636.11
    tert-amyl alcohol 4667.33
    acetylacetone 3094.91
    n-hexadecane 176.29
    acetophenone 901.67
    methyl propionate 2588.32
    isopentyl acetate 4834.71
    trichloroethylene 4500.15
    n-nonanol 922.69
    cyclohexanol 3360.18
    benzyl alcohol 804.91
    2-ethylhexanol 2628.66
    isooctanol 1180.11
    dipropyl ether 8163.01
    1,2-dichlorobenzene 1014.99
    ethyl lactate 639.52
    propylene carbonate 1587.94
    n-methylformamide 807.96
    2-pentanol 4528.63
    n-pentane 1729.58
    1-propoxy-2-propanol 4763.61
    1-methoxy-2-propyl acetate 3414.96
    2-(2-methoxypropoxy) propanol 1093.63
    mesitylene 671.89
    ε-caprolactone 3500.47
    p-cymene 605.07
    epichlorohydrin 4872.78
    1,1,1-trichloroethane 3937.35
    2-aminoethanol 520.12
    morpholine-4-carbaldehyde 1777.86
    sulfolane 2108.97
    2,2,4-trimethylpentane 433.6
    2-methyltetrahydrofuran 8704.21
    n-hexyl acetate 2503.96
    isooctane 507.22
    2-(2-butoxyethoxy)ethanol 2165.69
    sec-butyl acetate 2929.95
    tert-butyl acetate 4358.05
    decalin 565.36
    glycerin 336.21
    diglyme 4219.46
    acrylic acid 445.68
    isopropyl myristate 871.82
    n-butyric acid 3980.06
    acetyl acetate 1786.59
    di(2-ethylhexyl) phthalate 395.56
    ethyl propionate 3107.18
    nitromethane 1575.84
    1,2-diethoxyethane 8023.29
    benzonitrile 1179.8
    trioctyl phosphate 386.31
    1-bromopropane 5414.34
    gamma-valerolactone 4181.93
    n-decanol 663.65
    triethyl phosphate 701.83
    4-methyl-2-pentanol 2108.25
    propionitrile 3501.92
    vinylene carbonate 978.65
    1,1,2-trichlorotrifluoroethane 1529.0
    DMS 819.83
    cumene 493.31
    2-octanol 866.38
    2-hexanone 4205.15
    octyl acetate 908.85
    limonene 1359.37
    1,2-dimethoxyethane 6667.38
    ethyl orthosilicate 855.63
    tributyl phosphate 544.83
    diacetone alcohol 2641.59
    N,N-dimethylaniline 693.34
    acrylonitrile 1986.32
    aniline 1514.02
    1,3-propanediol 1509.65
    bromobenzene 1577.48
    dibromomethane 4566.66
    1,1,2,2-tetrachloroethane 4078.82
    2-methyl-cyclohexyl acetate 1434.47
    tetrabutyl urea 585.08
    diisobutyl methanol 1484.83
    2-phenylethanol 1130.44
    styrene 1049.99
    dioctyl adipate 877.39
    dimethyl sulfate 395.13
    ethyl butyrate 4207.45
    methyl lactate 534.85
    butyl lactate 1165.72
    diethyl carbonate 1642.99
    propanediol butyl ether 1051.55
    triethyl orthoformate 2203.31
    p-tert-butyltoluene 622.65
    methyl 4-tert-butylbenzoate 740.79
    morpholine 8661.9
    tert-butylamine 6619.68
    n-dodecanol 498.4
    dimethoxymethane 3136.12
    ethylene carbonate 1280.08
    cyrene 535.11
    2-ethoxyethyl acetate 2376.11
    2-ethylhexyl acetate 3372.75
    1,2,4-trichlorobenzene 1011.52
    4-methylpyridine 3385.48
    dibutyl ether 4370.9
    2,6-dimethyl-4-heptanol 1484.83
    DEF 3433.8
    dimethyl isosorbide 1544.93
    tetrachloroethylene 2410.11
    eugenol 595.31
    triacetin 1126.69
    span 80 1035.51
    1,4-butanediol 383.84
    1,1-dichloroethane 5649.34
    2-methyl-1-pentanol 2297.47
    methyl formate 461.59
    2-methyl-1-butanol 3431.82
    n-decane 349.22
    butyronitrile 5510.39
    3,7-dimethyl-1-octanol 1401.51
    1-chlorooctane 1045.01
    1-chlorotetradecane 332.24
    n-nonane 398.61
    undecane 212.26
    tert-butylcyclohexane 555.64
    cyclooctane 709.51
    cyclopentanol 2455.79
    tetrahydropyran 12712.86
    tert-amyl methyl ether 4589.43
    2,5,8-trioxanonane 1865.69
    1-hexene 5681.9
    2-isopropoxyethanol 2127.6
    2,2,2-trifluoroethanol 136.02
    methyl butyrate 4069.25

    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