4-Hydroxy-1-(5-isocamphyl)cyclohexane

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  • Identifiers

    CAS number
    66068-84-6

    Molecular formula
    C16H28O

    SMILES
    CC1C2CC(C1(C)C)CC2C3CCC(CC3)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 83.76%
    Sweet 74.43%
    Sandalwood 58.19%
    Balsamic 55.3%
    Amber 43.87%
    Clean 42.99%
    Dry 40.86%
    Pine 40.84%
    Camphoreous 40.28%
    Herbal 38.87%

     

    Flavor
    Herbal 46.9%
    Sweet 44.25%
    Fruity 42.29%
    Woody 41.97%
    Herb 41.72%
    Earthy 37.15%
    Green 37.06%
    Fruit 36.68%
    Pine 32.49%
    Balsam 30.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    9.08 (weak base)

    Molecular weight
    236.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Flash point

    • 123.43 ˚C est.

  • Synonyms

    • 66068-84-6
    • Cyclohexanol, 4-(5,5,6-trimethylbicyclo(2.2.1)hept-2-yl)-
    • 4-Hydroxy-1-(5-isocamphyl)cyclohexane
    • UNII-TVJ25725XP
    • TVJ25725XP
    • EINECS 266-100-3
    • Cyclohexanol,4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)-
    • 4-(5,5,6-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL)CYCLOHEXAN-1-OL
    • 4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol
    • DTXSID4041816
    • Cyclohexanol, 4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)-
    • ISO CAMPHYL CYCLO HEXANOL
    • 4-(5,5,6-trimethylbicyclo[2.2.1]heptan-2-yl)cyclohexan-1-ol
    • EC 266-100-3
    • 4-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
    • 4-(5,5,6-Trimethylbicyclo(2.2.1)hept-2-yl)cyclohexan-1-ol
    • J349.334B
    • 4-(5,5,6-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL)CYCLOHEXANOL
    • 4-{5,5,6-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}CYCLOHEXAN-1-OL
    • 4-(2,2,3-trimethyl-5-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
    • Oprea1_706309
    • SCHEMBL622691
    • DTXCID2021816
    • PCFHYANYPQEMPU-UHFFFAOYSA-N
    • STK670703
    • AKOS030590686
    • NS00005733
    • AG-205/40118096
    • SR-01000510768
    • SR-01000510768-1
    • Q27290436
    • 4-(5,5,6-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL)-1-CYCLOHEXANOL
    • Sandenol 803

  • Applications

    4-Hydroxy-1-(5-isocamphyl)cyclohexane is typically considered an intermediate and a potential fragrance component in perfumery, leveraging its rigid camphor-derived skeleton and the hydroxy group for further derivatization; it may serve as a fixative or odorant in fragrance formulations. It can also be used in cosmetics and personal care as a specialty fragrance ingredient, and in household products to impart camphor-like notes. In industrial manufacturing, it may act as a chiral building block for the synthesis of camphor-derived specialty chemicals; its use may be limited by local regulations. It can be evaluated for use in coatings, inks, or polymer chemistries as a limited additive or intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4349.68
    methanol 2739.7
    isopropanol 5315.97
    water 7.52
    ethyl acetate 5331.4
    n-propanol 4160.89
    acetone 5705.43
    n-butanol 4107.63
    acetonitrile 4002.77
    DMF 3586.14
    toluene 1626.19
    isobutanol 2622.16
    1,4-dioxane 7126.12
    methyl acetate 3446.59
    THF 9056.4
    2-butanone 3538.59
    n-pentanol 942.5
    sec-butanol 1901.46
    n-hexane 290.76
    ethylene glycol 322.96
    NMP 471.22
    cyclohexane 722.44
    DMSO 1370.02
    n-butyl acetate 2192.48
    n-octanol 423.76
    chloroform 4179.72
    n-propyl acetate 1536.9
    acetic acid 975.75
    dichloromethane 3234.44
    cyclohexanone 2142.28
    propylene glycol 532.05
    isopropyl acetate 3695.17
    DMAc 1297.45
    2-ethoxyethanol 1713.94
    isopentanol 2669.25
    n-heptane 209.62
    ethyl formate 2018.6
    1,2-dichloroethane 2535.11
    n-hexanol 1687.61
    2-methoxyethanol 4308.56
    isobutyl acetate 1046.33
    tetrachloromethane 1049.89
    n-pentyl acetate 855.58
    transcutol 5009.36
    n-heptanol 543.4
    ethylbenzene 496.15
    MIBK 2178.9
    2-propoxyethanol 3150.9
    tert-butanol 4846.6
    MTBE 7280.2
    2-butoxyethanol 1232.03
    propionic acid 1260.49
    o-xylene 659.02
    formic acid 307.02
    diethyl ether 7848.87
    m-xylene 1100.08
    p-xylene 661.5
    chlorobenzene 1224.88
    dimethyl carbonate 1042.49
    n-octane 81.44
    formamide 867.58
    cyclopentanone 2615.27
    2-pentanone 3687.67
    anisole 1185.46
    cyclopentyl methyl ether 2624.07
    gamma-butyrolactone 2633.78
    1-methoxy-2-propanol 3589.36
    pyridine 2738.57
    3-pentanone 2041.26
    furfural 1534.61
    n-dodecane 45.2
    diethylene glycol 1550.82
    diisopropyl ether 2053.28
    tert-amyl alcohol 1526.51
    acetylacetone 2973.1
    n-hexadecane 54.74
    acetophenone 674.02
    methyl propionate 2730.37
    isopentyl acetate 1924.52
    trichloroethylene 2937.43
    n-nonanol 392.24
    cyclohexanol 1415.72
    benzyl alcohol 623.44
    2-ethylhexanol 677.41
    isooctanol 451.5
    dipropyl ether 2096.21
    1,2-dichlorobenzene 853.13
    ethyl lactate 504.77
    propylene carbonate 1473.45
    n-methylformamide 2261.67
    2-pentanol 2147.52
    n-pentane 589.39
    1-propoxy-2-propanol 2129.57
    1-methoxy-2-propyl acetate 2448.44
    2-(2-methoxypropoxy) propanol 814.67
    mesitylene 738.03
    ε-caprolactone 1706.92
    p-cymene 330.15
    epichlorohydrin 3173.22
    1,1,1-trichloroethane 2503.53
    2-aminoethanol 1008.2
    morpholine-4-carbaldehyde 1513.15
    sulfolane 1038.53
    2,2,4-trimethylpentane 159.36
    2-methyltetrahydrofuran 3785.1
    n-hexyl acetate 997.02
    isooctane 253.45
    2-(2-butoxyethoxy)ethanol 1365.92
    sec-butyl acetate 1238.24
    tert-butyl acetate 2929.71
    decalin 144.88
    glycerin 604.4
    diglyme 2839.61
    acrylic acid 683.73
    isopropyl myristate 405.49
    n-butyric acid 2736.3
    acetyl acetate 2094.91
    di(2-ethylhexyl) phthalate 249.93
    ethyl propionate 1532.03
    nitromethane 2479.54
    1,2-diethoxyethane 3037.25
    benzonitrile 951.26
    trioctyl phosphate 207.44
    1-bromopropane 2167.79
    gamma-valerolactone 3276.22
    n-decanol 298.57
    triethyl phosphate 391.1
    4-methyl-2-pentanol 1347.78
    propionitrile 3718.12
    vinylene carbonate 1491.94
    1,1,2-trichlorotrifluoroethane 1102.37
    DMS 838.95
    cumene 336.04
    2-octanol 325.13
    2-hexanone 1063.77
    octyl acetate 438.51
    limonene 408.96
    1,2-dimethoxyethane 3818.07
    ethyl orthosilicate 454.0
    tributyl phosphate 283.51
    diacetone alcohol 1668.04
    N,N-dimethylaniline 546.27
    acrylonitrile 2681.01
    aniline 1710.65
    1,3-propanediol 2524.77
    bromobenzene 1248.42
    dibromomethane 2243.85
    1,1,2,2-tetrachloroethane 2324.54
    2-methyl-cyclohexyl acetate 601.93
    tetrabutyl urea 274.25
    diisobutyl methanol 596.24
    2-phenylethanol 879.54
    styrene 605.73
    dioctyl adipate 415.16
    dimethyl sulfate 676.84
    ethyl butyrate 1510.74
    methyl lactate 761.56
    butyl lactate 589.79
    diethyl carbonate 893.76
    propanediol butyl ether 757.5
    triethyl orthoformate 968.34
    p-tert-butyltoluene 376.57
    methyl 4-tert-butylbenzoate 635.74
    morpholine 6323.37
    tert-butylamine 3638.8
    n-dodecanol 227.66
    dimethoxymethane 5223.93
    ethylene carbonate 1631.69
    cyrene 373.13
    2-ethoxyethyl acetate 1358.91
    2-ethylhexyl acetate 1171.92
    1,2,4-trichlorobenzene 808.13
    4-methylpyridine 2400.62
    dibutyl ether 1071.0
    2,6-dimethyl-4-heptanol 596.24
    DEF 1872.44
    dimethyl isosorbide 1140.84
    tetrachloroethylene 1622.08
    eugenol 528.29
    triacetin 797.18
    span 80 587.17
    1,4-butanediol 448.17
    1,1-dichloroethane 3447.12
    2-methyl-1-pentanol 646.63
    methyl formate 1444.89
    2-methyl-1-butanol 1656.48
    n-decane 91.03
    butyronitrile 3938.38
    3,7-dimethyl-1-octanol 537.04
    1-chlorooctane 315.11
    1-chlorotetradecane 110.5
    n-nonane 92.44
    undecane 61.42
    tert-butylcyclohexane 142.25
    cyclooctane 245.45
    cyclopentanol 1394.84
    tetrahydropyran 6803.02
    tert-amyl methyl ether 1942.09
    2,5,8-trioxanonane 1454.41
    1-hexene 770.95
    2-isopropoxyethanol 1159.61
    2,2,2-trifluoroethanol 493.98
    methyl butyrate 1586.42

    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