Isobornyl cyclohexanol

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  • Identifiers

    CAS number
    3407-42-9

    Molecular formula
    C16H28O

    SMILES
    CC1C2CC(C1(C)C)CC2C3CCCC(C3)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 81.88%
    Sweet 72.7%
    Sandalwood 55.91%
    Balsamic 54.87%
    Amber 41.89%
    Herbal 41.64%
    Clean 41.6%
    Camphoreous 40.85%
    Pine 40.04%
    Dry 38.92%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    236.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point est.
    124.0 ˚C

  • Synonyms

    • 3407-42-9
    • Isobornyl cyclohexanol
    • Sandenol
    • 3-(5,5,6-Trimethyl-2-norbornyl)cyclohexanol
    • DTXSID5044817
    • Cyclohexanol, 3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)-
    • 3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol
    • DTXCID3024817
    • 3-[5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl]cyclohexan-1-ol
    • 3-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
    • 3-(5,5,6-Trimethylbicyclo(2.2.1)hept-2-yl)cyclohexanol
    • 3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol
    • 3-(5,5,6-Trimethylbicyclo[2.2.1]heptan-2-yl)cyclohexanol
    • Cyclohexanol, 3-(5,5,6-trimethylbicyclo(2.2.1)hept-2-yl)-
    • SANDELA
    • 3-Isocamphylcyclohexanol, trans-
    • 3-(5,5,6-Trimethylbicyclo(2.2.1)hept-2-yl)cyclohexan-1-ol
    • 34UP96K73Z
    • 3-(5,5,6-trimethylbicyclo[2.2.1]heptan-2-yl)cyclohexan-1-ol
    • 3-{5,5,6-trimethylbicyclo[2.2.1]heptan-2-yl}cyclohexan-1-ol
    • UNII-34UP96K73Z
    • EINECS 222-294-1
    • 3-Isocamphylcyclohexanol
    • EC 222-294-1
    • Cyclohexanol, (5,5,6-trimethyl-2-norbornyl)-
    • SCHEMBL891473
    • CHEMBL3182308
    • BWVZAZPLUTUBKD-UHFFFAOYSA-N
    • CHEBI:171884
    • (1S*,3S*)-(1alpha,2alpha,4alpha,6alpha)-3-(5,5,6-Trimethylbicyclo(2.2.1)hept-2-yl)cyclohexan-1-ol
    • 4105-12-8
    • EINECS 223-879-4
    • Tox21_301776
    • NCGC00256284-01
    • CAS-3407-42-9
    • (5,5,6-trimethyl-2-norbornyl)-Cyclohexanol
    • NS00005981
    • 1-(5,5,6-Trimethyl-2-norbornyl)cyclohexanol, 8CI
    • Q4407886
    • 3-(5,5,6-Trimethylbicyclo(2.2.1)hept-2-yl)-Cyclohexanol
    • 3-[5,5,6-trimethylbicyclo[2.2.1]hept-2-yl ]cyclohexan-1-ol
    • 4-(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl )cyclohexan-1-ol
    • Cyclohexanol, 3-(5,5,6-trimethylbicyclo(2.2.1)hept-2-yl)-, (1alpha,2alpha(1S,3S),4alpha,6alpha)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5201.37
    methanol 3208.73
    isopropanol 6572.68
    water 7.83
    ethyl acetate 5787.08
    n-propanol 4839.24
    acetone 6897.09
    n-butanol 4746.32
    acetonitrile 4574.18
    DMF 3872.92
    toluene 1773.6
    isobutanol 3187.6
    1,4-dioxane 8289.13
    methyl acetate 3741.78
    THF 10343.54
    2-butanone 3972.62
    n-pentanol 1060.71
    sec-butanol 2209.49
    n-hexane 277.99
    ethylene glycol 376.02
    NMP 517.55
    cyclohexane 790.16
    DMSO 1551.89
    n-butyl acetate 2468.29
    n-octanol 507.92
    chloroform 4447.51
    n-propyl acetate 1593.34
    acetic acid 1183.67
    dichloromethane 3390.62
    cyclohexanone 2423.66
    propylene glycol 618.35
    isopropyl acetate 4060.96
    DMAc 1327.82
    2-ethoxyethanol 1838.3
    isopentanol 3270.19
    n-heptane 236.33
    ethyl formate 2258.41
    1,2-dichloroethane 2719.84
    n-hexanol 2091.24
    2-methoxyethanol 4881.61
    isobutyl acetate 1118.74
    tetrachloromethane 1041.6
    n-pentyl acetate 941.85
    transcutol 5582.72
    n-heptanol 643.4
    ethylbenzene 530.47
    MIBK 2469.84
    2-propoxyethanol 3678.33
    tert-butanol 5904.57
    MTBE 7988.41
    2-butoxyethanol 1386.23
    propionic acid 1411.64
    o-xylene 701.85
    formic acid 351.19
    diethyl ether 8575.8
    m-xylene 1208.29
    p-xylene 715.98
    chlorobenzene 1345.89
    dimethyl carbonate 1065.94
    n-octane 91.45
    formamide 948.55
    cyclopentanone 2977.92
    2-pentanone 4146.03
    anisole 1236.5
    cyclopentyl methyl ether 2905.68
    gamma-butyrolactone 2928.28
    1-methoxy-2-propanol 4096.66
    pyridine 3013.68
    3-pentanone 2211.59
    furfural 1691.34
    n-dodecane 52.74
    diethylene glycol 1802.25
    diisopropyl ether 2250.35
    tert-amyl alcohol 1719.3
    acetylacetone 3298.16
    n-hexadecane 63.06
    acetophenone 713.85
    methyl propionate 2815.1
    isopentyl acetate 2211.03
    trichloroethylene 3142.29
    n-nonanol 456.24
    cyclohexanol 1616.26
    benzyl alcohol 678.17
    2-ethylhexanol 803.68
    isooctanol 515.57
    dipropyl ether 2359.56
    1,2-dichlorobenzene 892.07
    ethyl lactate 519.26
    propylene carbonate 1604.22
    n-methylformamide 2459.36
    2-pentanol 2454.14
    n-pentane 595.66
    1-propoxy-2-propanol 2455.84
    1-methoxy-2-propyl acetate 2650.02
    2-(2-methoxypropoxy) propanol 874.41
    mesitylene 795.47
    ε-caprolactone 1882.36
    p-cymene 364.35
    epichlorohydrin 3627.89
    1,1,1-trichloroethane 2610.22
    2-aminoethanol 1179.0
    morpholine-4-carbaldehyde 1613.14
    sulfolane 1122.52
    2,2,4-trimethylpentane 158.99
    2-methyltetrahydrofuran 4230.82
    n-hexyl acetate 1131.53
    isooctane 273.35
    2-(2-butoxyethoxy)ethanol 1527.72
    sec-butyl acetate 1291.33
    tert-butyl acetate 3119.34
    decalin 148.61
    glycerin 695.17
    diglyme 3072.48
    acrylic acid 771.88
    isopropyl myristate 458.51
    n-butyric acid 3060.87
    acetyl acetate 2174.21
    di(2-ethylhexyl) phthalate 269.21
    ethyl propionate 1558.13
    nitromethane 2764.72
    1,2-diethoxyethane 3327.18
    benzonitrile 1088.25
    trioctyl phosphate 233.96
    1-bromopropane 2312.07
    gamma-valerolactone 3594.92
    n-decanol 345.61
    triethyl phosphate 402.14
    4-methyl-2-pentanol 1541.74
    propionitrile 4171.3
    vinylene carbonate 1601.44
    1,1,2-trichlorotrifluoroethane 1174.06
    DMS 892.12
    cumene 356.36
    2-octanol 380.9
    2-hexanone 1164.16
    octyl acetate 496.36
    limonene 460.72
    1,2-dimethoxyethane 4012.72
    ethyl orthosilicate 458.66
    tributyl phosphate 306.69
    diacetone alcohol 1832.62
    N,N-dimethylaniline 569.23
    acrylonitrile 2994.4
    aniline 1817.78
    1,3-propanediol 2875.75
    bromobenzene 1372.61
    dibromomethane 2369.14
    1,1,2,2-tetrachloroethane 2373.1
    2-methyl-cyclohexyl acetate 644.84
    tetrabutyl urea 300.93
    diisobutyl methanol 689.86
    2-phenylethanol 993.68
    styrene 648.77
    dioctyl adipate 454.39
    dimethyl sulfate 700.68
    ethyl butyrate 1602.69
    methyl lactate 797.9
    butyl lactate 624.7
    diethyl carbonate 947.27
    propanediol butyl ether 863.2
    triethyl orthoformate 1015.0
    p-tert-butyltoluene 413.35
    methyl 4-tert-butylbenzoate 662.61
    morpholine 7268.56
    tert-butylamine 4237.06
    n-dodecanol 266.38
    dimethoxymethane 5678.41
    ethylene carbonate 1748.24
    cyrene 403.92
    2-ethoxyethyl acetate 1473.31
    2-ethylhexyl acetate 1336.49
    1,2,4-trichlorobenzene 845.05
    4-methylpyridine 2707.89
    dibutyl ether 1217.16
    2,6-dimethyl-4-heptanol 689.86
    DEF 1964.5
    dimethyl isosorbide 1224.83
    tetrachloroethylene 1658.88
    eugenol 567.37
    triacetin 844.6
    span 80 642.62
    1,4-butanediol 490.34
    1,1-dichloroethane 3746.28
    2-methyl-1-pentanol 720.14
    methyl formate 1652.11
    2-methyl-1-butanol 1907.04
    n-decane 103.76
    butyronitrile 4568.34
    3,7-dimethyl-1-octanol 606.59
    1-chlorooctane 361.47
    1-chlorotetradecane 128.92
    n-nonane 105.52
    undecane 71.2
    tert-butylcyclohexane 147.73
    cyclooctane 255.28
    cyclopentanol 1636.91
    tetrahydropyran 7874.4
    tert-amyl methyl ether 2011.91
    2,5,8-trioxanonane 1562.58
    1-hexene 821.98
    2-isopropoxyethanol 1235.91
    2,2,2-trifluoroethanol 542.64
    methyl butyrate 1663.11

    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