Cyclogeraniolane

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  • Identifiers

    CAS number
    3073-66-3

    Molecular formula
    C9H18

    SMILES
    CC1CCCC(C1)(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sweet 63.73%
    Green 61.58%
    Woody 51.13%
    Fresh 35.81%
    Camphoreous 34.68%
    Dry 33.76%
    Spicy 33.66%
    Herbal 33.41%
    Citrus 32.83%
    Pine 31.46%

     

    Flavor
    Sweet 40.35%
    Woody 34.95%
    Camphor 32.51%
    Dry 32.36%
    Pine 27.02%
    Earthy 25.87%
    Old paper 23.34%
    Alkane 21.33%
    Terpenic 20.85%
    Patchouli 20.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    9.89 (weak base)

    Molecular weight
    126.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    135°C

    Flash point

    • 24.12 ˚C est.

  • Synonyms

    • 1,1,3-TRIMETHYLCYCLOHEXANE
    • 3073-66-3
    • Cyclogeraniolane
    • Cyclohexane, 1,1,3-trimethyl-
    • 3,3,5-trimethylcyclohexane
    • EINECS 221-347-6
    • NSC 73965
    • BRN 1900451
    • L13QEP2K04
    • AI3-28795
    • NSC-73965
    • 1,1,3-trimethyl-cyclohexane
    • DTXSID60858746
    • 4-05-00-00137 (Beilstein Handbook Reference)
    • NSC73965
    • MFCD00039462
    • 1,3-Trimethylcyclohexane
    • Cyclohexane,1,3-trimethyl-
    • UNII-L13QEP2K04
    • Cyclohexane, 1,1,3trimethyl
    • DTXCID40809478
    • WLN: L6TJ A1 A1 C1
    • LMFA11000633
    • AKOS015906312
    • BS-22280
    • DB-047885
    • CS-0450794
    • NS00046361
    • T0827
    • T72270
    • 221-347-6

  • Applications

    Cyclogeraniolane, CAS 3073-66-3, is used primarily in fragrance and personal care applications as a fragrance ingredient and may function as a fragrance fixative. In the perfumery sector, it contributes floral–herbal notes and is often considered a precursor for the synthesis of other terpenoid fragrance compounds. It is also evaluated for use in flavor/aroma formulations at very low concentrations and can appear in household products such as cleaners and detergents to impart a scent. In cosmetics, it is found as a fragrance component in skincare and haircare products. Additionally, it may serve as an intermediate in the synthesis of other fragrance materials and can be used as an odorant additive in coatings or inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1119.37
    methanol 762.87
    isopropanol 914.9
    water 0.23
    ethyl acetate 1633.22
    n-propanol 1119.01
    acetone 1081.52
    n-butanol 1520.5
    acetonitrile 728.42
    DMF 507.74
    toluene 998.01
    isobutanol 898.02
    1,4-dioxane 2045.16
    methyl acetate 1049.81
    THF 3590.02
    2-butanone 1240.73
    n-pentanol 819.41
    sec-butanol 1029.27
    n-hexane 1658.54
    ethylene glycol 63.86
    NMP 670.06
    cyclohexane 1771.94
    DMSO 442.24
    n-butyl acetate 3636.96
    n-octanol 956.21
    chloroform 1694.78
    n-propyl acetate 926.33
    acetic acid 413.69
    dichloromethane 1327.62
    cyclohexanone 1740.81
    propylene glycol 156.28
    isopropyl acetate 1247.35
    DMAc 533.57
    2-ethoxyethanol 494.49
    isopentanol 1337.02
    n-heptane 2723.28
    ethyl formate 602.09
    1,2-dichloroethane 990.64
    n-hexanol 3357.48
    2-methoxyethanol 854.29
    isobutyl acetate 749.61
    tetrachloromethane 524.62
    n-pentyl acetate 985.68
    transcutol 2291.62
    n-heptanol 1046.76
    ethylbenzene 446.63
    MIBK 977.94
    2-propoxyethanol 2152.96
    tert-butanol 1317.23
    MTBE 2367.23
    2-butoxyethanol 908.14
    propionic acid 488.13
    o-xylene 551.65
    formic acid 75.01
    diethyl ether 2936.6
    m-xylene 695.01
    p-xylene 495.89
    chlorobenzene 778.91
    dimethyl carbonate 215.88
    n-octane 613.25
    formamide 86.67
    cyclopentanone 1534.87
    2-pentanone 1427.63
    anisole 579.95
    cyclopentyl methyl ether 2120.49
    gamma-butyrolactone 1181.11
    1-methoxy-2-propanol 843.27
    pyridine 1066.91
    3-pentanone 1072.75
    furfural 664.62
    n-dodecane 330.98
    diethylene glycol 576.28
    diisopropyl ether 1398.73
    tert-amyl alcohol 1259.04
    acetylacetone 866.77
    n-hexadecane 372.45
    acetophenone 363.71
    methyl propionate 883.75
    isopentyl acetate 2748.17
    trichloroethylene 1151.68
    n-nonanol 897.46
    cyclohexanol 1308.11
    benzyl alcohol 306.65
    2-ethylhexanol 2553.05
    isooctanol 814.09
    dipropyl ether 3748.11
    1,2-dichlorobenzene 545.77
    ethyl lactate 241.02
    propylene carbonate 804.91
    n-methylformamide 290.11
    2-pentanol 1197.56
    n-pentane 1378.54
    1-propoxy-2-propanol 2256.28
    1-methoxy-2-propyl acetate 1721.22
    2-(2-methoxypropoxy) propanol 705.85
    mesitylene 556.35
    ε-caprolactone 1422.7
    p-cymene 713.5
    epichlorohydrin 1303.44
    1,1,1-trichloroethane 1231.87
    2-aminoethanol 222.93
    morpholine-4-carbaldehyde 819.93
    sulfolane 857.43
    2,2,4-trimethylpentane 546.13
    2-methyltetrahydrofuran 3046.6
    n-hexyl acetate 1443.68
    isooctane 585.03
    2-(2-butoxyethoxy)ethanol 1029.24
    sec-butyl acetate 747.74
    tert-butyl acetate 1411.58
    decalin 591.58
    glycerin 165.27
    diglyme 1470.85
    acrylic acid 237.73
    isopropyl myristate 697.94
    n-butyric acid 1123.04
    acetyl acetate 706.33
    di(2-ethylhexyl) phthalate 339.31
    ethyl propionate 785.95
    nitromethane 487.47
    1,2-diethoxyethane 2124.93
    benzonitrile 521.76
    trioctyl phosphate 365.63
    1-bromopropane 1716.97
    gamma-valerolactone 1378.42
    n-decanol 710.77
    triethyl phosphate 455.15
    4-methyl-2-pentanol 821.22
    propionitrile 971.01
    vinylene carbonate 526.5
    1,1,2-trichlorotrifluoroethane 502.13
    DMS 505.97
    cumene 343.46
    2-octanol 671.61
    2-hexanone 1030.33
    octyl acetate 801.64
    limonene 1531.6
    1,2-dimethoxyethane 1203.7
    ethyl orthosilicate 564.79
    tributyl phosphate 464.48
    diacetone alcohol 870.3
    N,N-dimethylaniline 374.8
    acrylonitrile 611.97
    aniline 691.5
    1,3-propanediol 408.5
    bromobenzene 897.26
    dibromomethane 1329.31
    1,1,2,2-tetrachloroethane 1012.21
    2-methyl-cyclohexyl acetate 1062.01
    tetrabutyl urea 494.46
    diisobutyl methanol 1180.31
    2-phenylethanol 803.3
    styrene 491.08
    dioctyl adipate 554.41
    dimethyl sulfate 189.91
    ethyl butyrate 1792.73
    methyl lactate 227.92
    butyl lactate 544.47
    diethyl carbonate 793.38
    propanediol butyl ether 557.47
    triethyl orthoformate 1239.23
    p-tert-butyltoluene 752.42
    methyl 4-tert-butylbenzoate 491.27
    morpholine 2122.53
    tert-butylamine 1407.19
    n-dodecanol 581.26
    dimethoxymethane 844.82
    ethylene carbonate 624.77
    cyrene 306.55
    2-ethoxyethyl acetate 927.92
    2-ethylhexyl acetate 2437.85
    1,2,4-trichlorobenzene 554.43
    4-methylpyridine 1158.0
    dibutyl ether 2195.67
    2,6-dimethyl-4-heptanol 1180.31
    DEF 1062.33
    dimethyl isosorbide 1009.44
    tetrachloroethylene 701.68
    eugenol 370.59
    triacetin 609.37
    span 80 769.98
    1,4-butanediol 132.96
    1,1-dichloroethane 1188.27
    2-methyl-1-pentanol 792.87
    methyl formate 231.66
    2-methyl-1-butanol 1194.93
    n-decane 617.58
    butyronitrile 1513.84
    3,7-dimethyl-1-octanol 1191.62
    1-chlorooctane 1084.91
    1-chlorotetradecane 451.66
    n-nonane 694.02
    undecane 428.15
    tert-butylcyclohexane 609.49
    cyclooctane 853.45
    cyclopentanol 966.7
    tetrahydropyran 3415.65
    tert-amyl methyl ether 1765.48
    2,5,8-trioxanonane 905.68
    1-hexene 1991.06
    2-isopropoxyethanol 494.02
    2,2,2-trifluoroethanol 94.43
    methyl butyrate 920.97

    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