Isocyclogeraniol

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  • Identifiers

    CAS number
    68527-77-5

    Molecular formula
    C10H18O

    SMILES
    CC1CC(=CC(C1CO)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 85.25%
    Green 84.81%
    Herbal 81.88%
    Woody 64.36%
    Fresh 49.48%
    Spicy 49.26%
    Earthy 48.52%
    Mint 43.25%
    Rose 42.51%
    Leafy 42.2%

     

    Flavor
    Herbal 51.44%
    Sweet 50.62%
    Fruity 41.28%
    Minty 40.68%
    Herb 40.35%
    Woody 36.91%
    Spicy 32.58%
    Mint 32.5%
    Tropical 27.37%
    Fruit 26.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    10.1 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    225°C

    Flash point

    • 102.93 ˚C est.

  • Synonyms

    • Isocyclogeraniol
    • 68527-77-5
    • 3-Cyclohexene-1-methanol, 2,4,6-trimethyl-
    • 2,4,6-trimethyl-3-cyclohexene-1-methanol
    • UNII-1MQV9RE56X
    • 1MQV9RE56X
    • (2,4,6-trimethylcyclohex-3-en-1-yl)methanol
    • 2,4,6-Trimethylcyclohex-3-ene-1-methanol
    • EINECS 271-282-2
    • DTXSID5052414
    • 2,4,6-trimethyl-3-cyclohexenylmethanol
    • SCHEMBL295784
    • CHEMBL4441073
    • DTXCID7030987
    • DMXUBGVVJLVCPB-UHFFFAOYSA-N
    • BCP29794
    • AKOS006241776
    • NS00012696
    • Q27252620
    • 2,4,6-Trimethyl-3-cyclohexene-1-methanol;Trimethyl cyclohexene methanol;3-Cyclohexene-1-methanol, 2,4,6-trimethyl-

  • Applications

    Isocyclogeraniol (CAS 68527-77-5) is primarily used in perfumery as an aroma compound (odorant) contributing green and floral facets; it may also act as a minor fixative to help extend fragrance longevity in certain formulations. In cosmetics and personal care, it is employed as a fragrance ingredient in products such as lotions, shampoos, and soaps. It can serve as an intermediate in fragrance synthesis, enabling the production of related aroma chemicals. Additionally, it is used as a scent additive in household products (air fresheners, detergents) and may be evaluated for use in coatings or inks as a fragrance modifier, subject to regulatory approvals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3714.52
    methanol 2524.39
    isopropanol 2723.46
    water 2.67
    ethyl acetate 1747.14
    n-propanol 2622.86
    acetone 2912.09
    n-butanol 2122.99
    acetonitrile 3440.15
    DMF 1387.54
    toluene 598.4
    isobutanol 1555.63
    1,4-dioxane 4401.87
    methyl acetate 1445.57
    THF 6511.22
    2-butanone 1741.19
    n-pentanol 791.89
    sec-butanol 1307.39
    n-hexane 110.06
    ethylene glycol 234.91
    NMP 1046.76
    cyclohexane 345.57
    DMSO 1799.17
    n-butyl acetate 1446.63
    n-octanol 412.45
    chloroform 2925.43
    n-propyl acetate 668.54
    acetic acid 1548.21
    dichloromethane 3134.62
    cyclohexanone 2253.46
    propylene glycol 353.61
    isopropyl acetate 793.81
    DMAc 436.58
    2-ethoxyethanol 810.95
    isopentanol 1233.63
    n-heptane 207.6
    ethyl formate 1364.86
    1,2-dichloroethane 1771.32
    n-hexanol 1459.1
    2-methoxyethanol 2110.28
    isobutyl acetate 358.54
    tetrachloromethane 579.46
    n-pentyl acetate 515.13
    transcutol 2171.75
    n-heptanol 463.14
    ethylbenzene 166.52
    MIBK 634.04
    2-propoxyethanol 1703.61
    tert-butanol 2052.2
    MTBE 1456.73
    2-butoxyethanol 643.32
    propionic acid 1040.17
    o-xylene 248.15
    formic acid 404.1
    diethyl ether 2454.05
    m-xylene 372.67
    p-xylene 207.04
    chlorobenzene 776.83
    dimethyl carbonate 264.78
    n-octane 53.78
    formamide 640.64
    cyclopentanone 2740.26
    2-pentanone 1541.92
    anisole 378.65
    cyclopentyl methyl ether 1720.5
    gamma-butyrolactone 3029.46
    1-methoxy-2-propanol 1244.8
    pyridine 1725.41
    3-pentanone 774.22
    furfural 1375.2
    n-dodecane 37.48
    diethylene glycol 777.78
    diisopropyl ether 442.96
    tert-amyl alcohol 922.22
    acetylacetone 1044.03
    n-hexadecane 43.48
    acetophenone 262.84
    methyl propionate 952.3
    isopentyl acetate 921.13
    trichloroethylene 2446.63
    n-nonanol 315.55
    cyclohexanol 1276.99
    benzyl alcohol 294.82
    2-ethylhexanol 594.89
    isooctanol 318.39
    dipropyl ether 974.06
    1,2-dichlorobenzene 522.43
    ethyl lactate 178.41
    propylene carbonate 1237.2
    n-methylformamide 1335.98
    2-pentanol 1008.18
    n-pentane 213.89
    1-propoxy-2-propanol 1048.94
    1-methoxy-2-propyl acetate 840.32
    2-(2-methoxypropoxy) propanol 363.17
    mesitylene 226.31
    ε-caprolactone 1513.43
    p-cymene 196.74
    epichlorohydrin 3127.09
    1,1,1-trichloroethane 1599.1
    2-aminoethanol 674.41
    morpholine-4-carbaldehyde 1244.57
    sulfolane 1873.42
    2,2,4-trimethylpentane 72.38
    2-methyltetrahydrofuran 3947.93
    n-hexyl acetate 665.14
    isooctane 82.06
    2-(2-butoxyethoxy)ethanol 649.95
    sec-butyl acetate 336.04
    tert-butyl acetate 720.31
    decalin 73.6
    glycerin 349.85
    diglyme 1231.11
    acrylic acid 687.17
    isopropyl myristate 219.4
    n-butyric acid 1901.26
    acetyl acetate 663.06
    di(2-ethylhexyl) phthalate 170.69
    ethyl propionate 461.12
    nitromethane 2692.11
    1,2-diethoxyethane 1074.66
    benzonitrile 629.05
    trioctyl phosphate 161.61
    1-bromopropane 1393.53
    gamma-valerolactone 2799.47
    n-decanol 221.07
    triethyl phosphate 164.13
    4-methyl-2-pentanol 422.47
    propionitrile 1827.75
    vinylene carbonate 1016.6
    1,1,2-trichlorotrifluoroethane 859.37
    DMS 313.12
    cumene 116.15
    2-octanol 277.35
    2-hexanone 614.18
    octyl acetate 280.73
    limonene 376.66
    1,2-dimethoxyethane 1385.34
    ethyl orthosilicate 180.54
    tributyl phosphate 186.76
    diacetone alcohol 684.46
    N,N-dimethylaniline 168.64
    acrylonitrile 1478.85
    aniline 674.3
    1,3-propanediol 1257.91
    bromobenzene 800.14
    dibromomethane 2129.55
    1,1,2,2-tetrachloroethane 1395.41
    2-methyl-cyclohexyl acetate 343.13
    tetrabutyl urea 200.54
    diisobutyl methanol 316.71
    2-phenylethanol 437.72
    styrene 215.36
    dioctyl adipate 241.65
    dimethyl sulfate 300.32
    ethyl butyrate 665.27
    methyl lactate 256.76
    butyl lactate 298.44
    diethyl carbonate 318.07
    propanediol butyl ether 449.57
    triethyl orthoformate 381.51
    p-tert-butyltoluene 191.93
    methyl 4-tert-butylbenzoate 295.49
    morpholine 4674.33
    tert-butylamine 1297.07
    n-dodecanol 164.64
    dimethoxymethane 1434.02
    ethylene carbonate 971.21
    cyrene 270.41
    2-ethoxyethyl acetate 632.37
    2-ethylhexyl acetate 640.09
    1,2,4-trichlorobenzene 513.18
    4-methylpyridine 1395.19
    dibutyl ether 507.64
    2,6-dimethyl-4-heptanol 316.71
    DEF 905.47
    dimethyl isosorbide 644.19
    tetrachloroethylene 985.7
    eugenol 264.39
    triacetin 337.29
    span 80 387.44
    1,4-butanediol 267.91
    1,1-dichloroethane 2136.66
    2-methyl-1-pentanol 484.11
    methyl formate 1046.0
    2-methyl-1-butanol 1030.16
    n-decane 71.83
    butyronitrile 2269.19
    3,7-dimethyl-1-octanol 342.2
    1-chlorooctane 274.59
    1-chlorotetradecane 91.99
    n-nonane 75.34
    undecane 50.04
    tert-butylcyclohexane 70.04
    cyclooctane 97.84
    cyclopentanol 1614.22
    tetrahydropyran 4738.62
    tert-amyl methyl ether 617.18
    2,5,8-trioxanonane 646.93
    1-hexene 355.93
    2-isopropoxyethanol 474.53
    2,2,2-trifluoroethanol 350.93
    methyl butyrate 664.74

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.29 % Category 7A
Rinse-off products applied to the hair with some hand contact
 3.3 %
Category 2
Products applied to the axillae
 0.087 % Category 7B
Leave-on products applied to the hair with some hand contact
 3.3 %
Category 3
Products applied to the face/body using fingertips
 1.8 % Category 8
Products with significant anogenital exposure
 0.17 %
Category 4
Products related to fine fragrance
 1.6 % Category 9
Products with body and hand exposure, primarily rinse off
 3.2 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.41 % Category 10A
Household care products with mostly hand contact
 11 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.41 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 11 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.41 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 6.3 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.41 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 6.3 %
Category 6
Products with oral and lip exposure
 0.96 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction