Cyclohexanol, 3-methyl-5-((2,2,3-trimethyl-3-cyclopenten-1-yl)methyl)-

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  • Identifiers

    CAS number
    71820-51-4

    Molecular formula
    C16H28O

    SMILES
    CC1CC(CC(C1)O)CC2CC=C(C2(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 67.95%
    Herbal 47.54%
    Spicy 46.25%
    Sweet 41.83%
    Balsamic 37.64%
    Sandalwood 34.62%
    Dry 33.36%
    Earthy 31.63%
    Fresh 31.44%
    Amber 31.41%

     

    Flavor
    Woody 60.83%
    Herbal 50.12%
    Herb 39.69%
    Green 38.89%
    Sweet 38.67%
    Pine 36.99%
    Camphor 35.77%
    Spice 35.77%
    Minty 35.57%
    Wood 35.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    9.33 (weak base)

    Molecular weight
    236.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    329°C

    Flash point

    • 125.91 ˚C est.

  • Synonyms

    • EINECS 276-044-1
    • Cyclohexanol, 3-methyl-5-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
    • DTXSID00888002
    • 3-((2,2,3-Trimethyl-3-cyclopenten-1-yl)methyl)-5-methyl-1-cyclohexanol
    • Cyclohexanol, 3-methyl-5-((2,2,3-trimethyl-3-cyclopenten-1-yl)methyl)-
    • RefChem:580661
    • DTXCID101027284
    • 71820-51-4
    • 3-methyl-5-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclohexan-1-ol
    • QIKFHKJUSSWJJF-UHFFFAOYSA-N
    • NS00013004
    • 3-methyl-5-((2,2,3-trimethyl-3-cyclopentenyl)methyl) cyclohexanol
    • 3-Methyl-5-((2,2,3-trimethyl-3-cyclopenten-1-yl)methyl)cyclohexan-1-ol
    • 71820-51-4

  • Applications

    Cyclohexanol, 3-methyl-5-((2,2,3-trimethyl-3-cyclopenten-1-yl)methyl)- (CAS 71820-51-4) is used as an odorant and fragrance ingredient in perfumery and cosmetics; it can serve as an intermediate in the synthesis of aroma compounds and related specialty chemicals; it may be used in household products as a fragrance component; and it can act as a precursor in industrial manufacturing of specialty chemicals, subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2833.46
    methanol 1421.39
    isopropanol 3325.47
    water 1.85
    ethyl acetate 3876.32
    n-propanol 2679.04
    acetone 3456.2
    n-butanol 2718.54
    acetonitrile 1986.87
    DMF 1868.89
    toluene 1962.51
    isobutanol 1997.76
    1,4-dioxane 5389.8
    methyl acetate 2412.91
    THF 6087.87
    2-butanone 2887.09
    n-pentanol 997.33
    sec-butanol 1844.58
    n-hexane 567.39
    ethylene glycol 149.56
    NMP 638.71
    cyclohexane 1105.12
    DMSO 1059.69
    n-butyl acetate 2095.33
    n-octanol 613.66
    chloroform 3506.57
    n-propyl acetate 1370.12
    acetic acid 848.35
    dichloromethane 2366.22
    cyclohexanone 2233.71
    propylene glycol 359.22
    isopropyl acetate 3043.1
    DMAc 1369.05
    2-ethoxyethanol 1349.74
    isopentanol 2409.81
    n-heptane 319.82
    ethyl formate 1054.81
    1,2-dichloroethane 1939.79
    n-hexanol 2000.34
    2-methoxyethanol 2642.11
    isobutyl acetate 1005.44
    tetrachloromethane 947.97
    n-pentyl acetate 931.11
    transcutol 6291.87
    n-heptanol 715.18
    ethylbenzene 695.04
    MIBK 1957.22
    2-propoxyethanol 2649.87
    tert-butanol 3883.6
    MTBE 6720.41
    2-butoxyethanol 1227.71
    propionic acid 976.12
    o-xylene 874.41
    formic acid 198.66
    diethyl ether 6457.48
    m-xylene 1331.03
    p-xylene 817.65
    chlorobenzene 1259.19
    dimethyl carbonate 767.54
    n-octane 112.25
    formamide 453.83
    cyclopentanone 2064.08
    2-pentanone 2841.74
    anisole 1342.96
    cyclopentyl methyl ether 2688.76
    gamma-butyrolactone 1817.62
    1-methoxy-2-propanol 2731.21
    pyridine 2320.33
    3-pentanone 2002.79
    furfural 1290.7
    n-dodecane 65.54
    diethylene glycol 1158.63
    diisopropyl ether 2263.9
    tert-amyl alcohol 2051.59
    acetylacetone 2370.36
    n-hexadecane 79.55
    acetophenone 760.31
    methyl propionate 2069.15
    isopentyl acetate 2039.83
    trichloroethylene 2644.63
    n-nonanol 567.45
    cyclohexanol 1515.7
    benzyl alcohol 662.92
    2-ethylhexanol 950.71
    isooctanol 622.49
    dipropyl ether 2185.28
    1,2-dichlorobenzene 926.14
    ethyl lactate 436.29
    propylene carbonate 1088.85
    n-methylformamide 1017.9
    2-pentanol 1981.19
    n-pentane 781.34
    1-propoxy-2-propanol 1987.13
    1-methoxy-2-propyl acetate 2248.08
    2-(2-methoxypropoxy) propanol 1059.36
    mesitylene 876.65
    ε-caprolactone 1825.21
    p-cymene 433.35
    epichlorohydrin 2521.02
    1,1,1-trichloroethane 2462.73
    2-aminoethanol 580.56
    morpholine-4-carbaldehyde 1638.73
    sulfolane 1069.11
    2,2,4-trimethylpentane 271.79
    2-methyltetrahydrofuran 3751.03
    n-hexyl acetate 1279.27
    isooctane 350.16
    2-(2-butoxyethoxy)ethanol 1758.31
    sec-butyl acetate 1282.31
    tert-butyl acetate 2865.29
    decalin 289.19
    glycerin 414.17
    diglyme 3136.6
    acrylic acid 513.62
    isopropyl myristate 534.92
    n-butyric acid 1977.63
    acetyl acetate 1643.74
    di(2-ethylhexyl) phthalate 328.24
    ethyl propionate 1364.42
    nitromethane 1504.69
    1,2-diethoxyethane 3204.71
    benzonitrile 876.42
    trioctyl phosphate 255.36
    1-bromopropane 2094.27
    gamma-valerolactone 2610.62
    n-decanol 410.1
    triethyl phosphate 449.73
    4-methyl-2-pentanol 1333.01
    propionitrile 2007.3
    vinylene carbonate 997.03
    1,1,2-trichlorotrifluoroethane 1136.16
    DMS 928.73
    cumene 469.82
    2-octanol 468.37
    2-hexanone 1232.8
    octyl acetate 595.08
    limonene 643.43
    1,2-dimethoxyethane 2789.71
    ethyl orthosilicate 511.26
    tributyl phosphate 345.84
    diacetone alcohol 1713.91
    N,N-dimethylaniline 725.94
    acrylonitrile 1450.29
    aniline 1671.29
    1,3-propanediol 1332.54
    bromobenzene 1394.73
    dibromomethane 1891.08
    1,1,2,2-tetrachloroethane 2398.94
    2-methyl-cyclohexyl acetate 789.84
    tetrabutyl urea 358.58
    diisobutyl methanol 691.64
    2-phenylethanol 961.3
    styrene 804.01
    dioctyl adipate 560.36
    dimethyl sulfate 623.45
    ethyl butyrate 1418.14
    methyl lactate 623.97
    butyl lactate 622.58
    diethyl carbonate 844.71
    propanediol butyl ether 874.13
    triethyl orthoformate 1020.56
    p-tert-butyltoluene 504.68
    methyl 4-tert-butylbenzoate 817.35
    morpholine 5027.93
    tert-butylamine 3254.02
    n-dodecanol 304.45
    dimethoxymethane 2997.13
    ethylene carbonate 1109.03
    cyrene 467.43
    2-ethoxyethyl acetate 1388.81
    2-ethylhexyl acetate 1405.92
    1,2,4-trichlorobenzene 997.65
    4-methylpyridine 2299.4
    dibutyl ether 1391.33
    2,6-dimethyl-4-heptanol 691.64
    DEF 1781.56
    dimethyl isosorbide 1370.02
    tetrachloroethylene 1530.18
    eugenol 675.16
    triacetin 998.95
    span 80 800.43
    1,4-butanediol 300.91
    1,1-dichloroethane 2723.19
    2-methyl-1-pentanol 885.62
    methyl formate 628.21
    2-methyl-1-butanol 1737.67
    n-decane 136.47
    butyronitrile 2224.49
    3,7-dimethyl-1-octanol 801.33
    1-chlorooctane 451.31
    1-chlorotetradecane 170.07
    n-nonane 138.31
    undecane 89.84
    tert-butylcyclohexane 287.31
    cyclooctane 384.14
    cyclopentanol 1251.02
    tetrahydropyran 6026.35
    tert-amyl methyl ether 2601.67
    2,5,8-trioxanonane 1743.35
    1-hexene 1247.37
    2-isopropoxyethanol 1094.29
    2,2,2-trifluoroethanol 329.89
    methyl butyrate 1401.15

    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