3-Methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene

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  • Identifiers

    CAS number
    18663-67-7

    Molecular formula
    C15H24

    SMILES
    CC1CCC(C=C1)C(=C)CCC=C(C)C

    Retention indicies (RI)

    • DB5: 1509.0

  • Odor profile

    Woody 65.61%
    Herbal 52.03%
    Sweet 50.55%
    Citrus 50.09%
    Balsamic 45.29%
    Spicy 42.12%
    Fresh 42.11%
    Floral 41.28%
    Fruity 39.26%
    Oily 38.37%

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  • Properties

    XLogP3-AA
    5.9

    pKa est.
    8.57 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point est.
    106.93 ˚C

  • Synonyms

    • 18663-67-7
    • 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene

  • Applications

    3-Methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene (CAS 18663-67-7) is a volatile, hydrophobic sesquiterpene hydrocarbon monitored as an odor-active constituent of essential oils; in fragrance and personal care it may be used at very low levels to enhance woody, resinous, herbal, or slightly spicy facets and to fine-tune accord backbones, while any flavor use depends on regulation and safety assessments; analytically it serves as a GC-FID/GC-MS reference standard to support identification, quantitation, and essential-oil fingerprinting for quality control and chemotaxonomy; in synthesis and catalysis, its oxygen-free C15 scaffold is a convenient feedstock for functionalization (e.g., epoxidation, hydroformylation, selective oxidation) to generate derivatives for structure–activity studies; in chemical ecology and crop protection it is evaluated as a semiochemical contributing to odor signaling, with potential to modulate insect behavior and to be screened as an attractant/repellent component in blends; when suitably derivatized it can also act as a bio-based building block for resins, coatings, and additives, though deployment requires oxidation-stability management, control of isomeric purity, and compliance with VOC and IFRA/FEMA/REACH safety frameworks.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1434.08
    methanol 542.66
    isopropanol 1350.21
    water 0.02
    ethyl acetate 3362.34
    n-propanol 1303.9
    acetone 1433.16
    n-butanol 1804.82
    acetonitrile 709.63
    DMF 438.88
    toluene 2531.29
    isobutanol 935.02
    1,4-dioxane 4372.77
    methyl acetate 1295.43
    THF 5693.06
    2-butanone 1833.03
    n-pentanol 1047.41
    sec-butanol 1413.31
    n-hexane 1547.57
    ethylene glycol 26.7
    NMP 359.78
    cyclohexane 2089.01
    DMSO 533.58
    n-butyl acetate 4233.43
    n-octanol 562.13
    chloroform 2848.89
    n-propyl acetate 1368.76
    acetic acid 307.55
    dichloromethane 2450.43
    cyclohexanone 1865.46
    propylene glycol 110.29
    isopropyl acetate 2458.53
    DMAc 603.43
    2-ethoxyethanol 840.53
    isopentanol 1602.27
    n-heptane 1473.66
    ethyl formate 597.54
    1,2-dichloroethane 1914.47
    n-hexanol 2418.86
    2-methoxyethanol 1152.6
    isobutyl acetate 937.64
    tetrachloromethane 556.0
    n-pentyl acetate 1086.87
    transcutol 5721.31
    n-heptanol 621.97
    ethylbenzene 904.34
    MIBK 1515.86
    2-propoxyethanol 2190.0
    tert-butanol 1919.48
    MTBE 5218.28
    2-butoxyethanol 780.84
    propionic acid 322.54
    o-xylene 857.74
    formic acid 33.32
    diethyl ether 7684.75
    m-xylene 1360.93
    p-xylene 823.87
    chlorobenzene 1033.33
    dimethyl carbonate 225.08
    n-octane 315.56
    formamide 67.28
    cyclopentanone 1303.98
    2-pentanone 2376.93
    anisole 1250.61
    cyclopentyl methyl ether 2912.49
    gamma-butyrolactone 889.69
    1-methoxy-2-propanol 1211.55
    pyridine 2216.21
    3-pentanone 1534.44
    furfural 648.27
    n-dodecane 139.24
    diethylene glycol 483.05
    diisopropyl ether 2613.11
    tert-amyl alcohol 1597.14
    acetylacetone 1487.74
    n-hexadecane 167.01
    acetophenone 619.54
    methyl propionate 1224.65
    isopentyl acetate 3339.6
    trichloroethylene 2186.25
    n-nonanol 547.38
    cyclohexanol 1388.94
    benzyl alcohol 451.3
    2-ethylhexanol 1885.5
    isooctanol 530.0
    dipropyl ether 5620.46
    1,2-dichlorobenzene 707.58
    ethyl lactate 231.21
    propylene carbonate 634.2
    n-methylformamide 183.68
    2-pentanol 1623.1
    n-pentane 1405.77
    1-propoxy-2-propanol 2205.58
    1-methoxy-2-propyl acetate 2576.07
    2-(2-methoxypropoxy) propanol 832.39
    mesitylene 787.57
    ε-caprolactone 1462.8
    p-cymene 700.95
    epichlorohydrin 2027.6
    1,1,1-trichloroethane 1798.72
    2-aminoethanol 142.73
    morpholine-4-carbaldehyde 833.8
    sulfolane 647.11
    2,2,4-trimethylpentane 406.4
    2-methyltetrahydrofuran 4715.92
    n-hexyl acetate 1500.91
    isooctane 454.09
    2-(2-butoxyethoxy)ethanol 1367.66
    sec-butyl acetate 1311.79
    tert-butyl acetate 2378.37
    decalin 531.68
    glycerin 105.9
    diglyme 2489.56
    acrylic acid 135.87
    isopropyl myristate 628.6
    n-butyric acid 1253.71
    acetyl acetate 1098.5
    di(2-ethylhexyl) phthalate 338.05
    ethyl propionate 1172.03
    nitromethane 412.16
    1,2-diethoxyethane 6047.62
    benzonitrile 634.17
    trioctyl phosphate 238.43
    1-bromopropane 2877.96
    gamma-valerolactone 1418.64
    n-decanol 396.82
    triethyl phosphate 491.45
    4-methyl-2-pentanol 930.58
    propionitrile 914.51
    vinylene carbonate 417.9
    1,1,2-trichlorotrifluoroethane 543.13
    DMS 576.57
    cumene 508.25
    2-octanol 434.21
    2-hexanone 1469.42
    octyl acetate 667.52
    limonene 1387.28
    1,2-dimethoxyethane 2524.14
    ethyl orthosilicate 628.08
    tributyl phosphate 348.78
    diacetone alcohol 1199.67
    N,N-dimethylaniline 617.07
    acrylonitrile 489.49
    aniline 1132.87
    1,3-propanediol 469.42
    bromobenzene 1353.51
    dibromomethane 2172.47
    1,1,2,2-tetrachloroethane 1855.38
    2-methyl-cyclohexyl acetate 1119.41
    tetrabutyl urea 410.86
    diisobutyl methanol 1056.65
    2-phenylethanol 902.02
    styrene 1066.96
    dioctyl adipate 638.18
    dimethyl sulfate 179.53
    ethyl butyrate 2576.54
    methyl lactate 206.4
    butyl lactate 418.97
    diethyl carbonate 1096.03
    propanediol butyl ether 439.19
    triethyl orthoformate 1556.96
    p-tert-butyltoluene 753.94
    methyl 4-tert-butylbenzoate 550.03
    morpholine 4479.38
    tert-butylamine 1880.2
    n-dodecanol 314.31
    dimethoxymethane 1483.47
    ethylene carbonate 505.05
    cyrene 311.29
    2-ethoxyethyl acetate 1557.63
    2-ethylhexyl acetate 2731.52
    1,2,4-trichlorobenzene 729.88
    4-methylpyridine 2184.4
    dibutyl ether 2748.81
    2,6-dimethyl-4-heptanol 1056.65
    DEF 1430.81
    dimethyl isosorbide 1334.99
    tetrachloroethylene 1088.28
    eugenol 399.71
    triacetin 725.16
    span 80 688.24
    1,4-butanediol 106.46
    1,1-dichloroethane 2022.64
    2-methyl-1-pentanol 1048.27
    methyl formate 127.82
    2-methyl-1-butanol 1298.67
    n-decane 291.83
    butyronitrile 1586.12
    3,7-dimethyl-1-octanol 856.16
    1-chlorooctane 777.34
    1-chlorotetradecane 282.27
    n-nonane 335.95
    undecane 189.89
    tert-butylcyclohexane 496.04
    cyclooctane 809.69
    cyclopentanol 742.32
    tetrahydropyran 6980.53
    tert-amyl methyl ether 3066.77
    2,5,8-trioxanonane 1476.42
    1-hexene 2812.92
    2-isopropoxyethanol 760.19
    2,2,2-trifluoroethanol 46.51
    methyl butyrate 1307.88

    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

Botanical

Name CAS Botanical Proportion
Fir balsam 1 8021-28-1 Abies balsamea (L.) Mill., fam. Pinaceae 0.66%
Lavandula dentata (Chemotype A) Lavandula dentata L. (Chemotype A), fam. Lamiaceae (Labiatae) 0.2%
Lavandula dentata (Chemotype B) Lavandula dentata L. (Chemotype B), fam. Lamiaceae (Labiatae) 0.5%