Polycyclic Sesquiterpenes

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  • Identifiers

    CAS number
    20479-00-9

    Molecular formula
    C15H28

    SMILES
    CC1CCCC(C2CC(C2CC1)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 66.8%
    Spicy 44.65%
    Dry 44.5%
    Sweet 43.85%
    Green 41.36%
    Fresh 39.3%
    Amber 36.09%
    Pine 35.75%
    Citrus 35.04%
    Herbal 34.93%

     

    Flavor
    Sweet 52.65%
    Woody 41.53%
    Dry 38.29%
    Pine 32.85%
    Wood 30.48%
    Camphor 28.35%
    Earthy 25.64%
    Fir needle 25.37%
    Spice 24.98%
    Old paper 24.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    9.29 (weak base)

    Molecular weight
    208.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 101.12 ˚C est.

  • Synonyms

    • Caryophyllane
    • CHEBI:36490
    • Bicyclo(7.2.0)undecane, 2,6,10,10-tetramethyl-
    • Caryophyllanes
    • Eremophilanes
    • Valeranes
    • RefChem:373640
    • 20479-00-9
    • SITKOPDZOGHVLY-UHFFFAOYSA-N
    • SCHEMBL332984
    • DTXSID40942652
    • DB-302485
    • Q27116855
    • 20479-00-9

  • Applications

    Polycyclic Sesquiterpenes (CAS 20479-00-9) are primarily exploited as fragrance ingredients and odorants in perfumery, where they contribute distinct aroma notes and can act as fixatives to improve scent longevity; they are also evaluated for use in cosmetics and personal care as fragrance components; as aroma compounds, they may be considered for flavor applications in the food industry; in household products they serve as scent additives for air fresheners and cleaners; in industrial manufacturing they are studied as fragrance precursors or functional additives in coatings, inks, and polymer formulations, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 483.96
    methanol 149.44
    isopropanol 674.22
    water 0.08
    ethyl acetate 955.1
    n-propanol 654.46
    acetone 879.27
    n-butanol 815.92
    acetonitrile 492.18
    DMF 512.41
    toluene 1097.75
    isobutanol 635.65
    1,4-dioxane 1721.16
    methyl acetate 677.31
    THF 3361.9
    2-butanone 1038.21
    n-pentanol 437.02
    sec-butanol 644.33
    n-hexane 587.73
    ethylene glycol 28.05
    NMP 491.46
    cyclohexane 1229.74
    DMSO 366.02
    n-butyl acetate 1825.33
    n-octanol 568.25
    chloroform 1417.53
    n-propyl acetate 675.76
    acetic acid 183.63
    dichloromethane 1179.13
    cyclohexanone 1579.16
    propylene glycol 91.26
    isopropyl acetate 888.43
    DMAc 433.32
    2-ethoxyethanol 324.58
    isopentanol 809.76
    n-heptane 1158.5
    ethyl formate 449.69
    1,2-dichloroethane 914.3
    n-hexanol 1404.83
    2-methoxyethanol 470.74
    isobutyl acetate 648.63
    tetrachloromethane 408.41
    n-pentyl acetate 751.78
    transcutol 1287.1
    n-heptanol 600.4
    ethylbenzene 522.25
    MIBK 861.41
    2-propoxyethanol 1025.3
    tert-butanol 932.32
    MTBE 1658.97
    2-butoxyethanol 581.17
    propionic acid 276.91
    o-xylene 587.97
    formic acid 17.04
    diethyl ether 1494.19
    m-xylene 798.62
    p-xylene 633.07
    chlorobenzene 831.37
    dimethyl carbonate 203.58
    n-octane 292.82
    formamide 38.97
    cyclopentanone 1581.77
    2-pentanone 1082.92
    anisole 645.82
    cyclopentyl methyl ether 1612.0
    gamma-butyrolactone 1136.86
    1-methoxy-2-propanol 599.38
    pyridine 1206.05
    3-pentanone 753.76
    furfural 659.2
    n-dodecane 174.91
    diethylene glycol 310.01
    diisopropyl ether 794.04
    tert-amyl alcohol 713.98
    acetylacetone 822.9
    n-hexadecane 205.76
    acetophenone 462.7
    methyl propionate 618.73
    isopentyl acetate 1689.02
    trichloroethylene 1193.72
    n-nonanol 514.77
    cyclohexanol 981.66
    benzyl alcohol 341.56
    2-ethylhexanol 1146.57
    isooctanol 511.25
    dipropyl ether 2150.42
    1,2-dichlorobenzene 610.23
    ethyl lactate 203.8
    propylene carbonate 752.06
    n-methylformamide 200.38
    2-pentanol 670.62
    n-pentane 568.87
    1-propoxy-2-propanol 1171.94
    1-methoxy-2-propyl acetate 1119.37
    2-(2-methoxypropoxy) propanol 477.37
    mesitylene 597.98
    ε-caprolactone 1129.67
    p-cymene 665.3
    epichlorohydrin 1271.92
    1,1,1-trichloroethane 1094.47
    2-aminoethanol 104.78
    morpholine-4-carbaldehyde 623.14
    sulfolane 862.28
    2,2,4-trimethylpentane 237.88
    2-methyltetrahydrofuran 2370.95
    n-hexyl acetate 980.12
    isooctane 292.83
    2-(2-butoxyethoxy)ethanol 675.34
    sec-butyl acetate 582.27
    tert-butyl acetate 1021.86
    decalin 351.62
    glycerin 91.12
    diglyme 1182.77
    acrylic acid 146.85
    isopropyl myristate 522.91
    n-butyric acid 698.75
    acetyl acetate 479.37
    di(2-ethylhexyl) phthalate 294.85
    ethyl propionate 591.74
    nitromethane 315.56
    1,2-diethoxyethane 1118.1
    benzonitrile 590.4
    trioctyl phosphate 295.23
    1-bromopropane 1216.91
    gamma-valerolactone 1322.85
    n-decanol 402.82
    triethyl phosphate 369.19
    4-methyl-2-pentanol 524.91
    propionitrile 694.8
    vinylene carbonate 569.36
    1,1,2-trichlorotrifluoroethane 413.78
    DMS 427.26
    cumene 388.85
    2-octanol 419.87
    2-hexanone 790.19
    octyl acetate 552.74
    limonene 1011.57
    1,2-dimethoxyethane 936.94
    ethyl orthosilicate 410.84
    tributyl phosphate 336.0
    diacetone alcohol 673.55
    N,N-dimethylaniline 415.93
    acrylonitrile 459.55
    aniline 658.45
    1,3-propanediol 256.05
    bromobenzene 1026.42
    dibromomethane 1107.74
    1,1,2,2-tetrachloroethane 984.15
    2-methyl-cyclohexyl acetate 782.24
    tetrabutyl urea 372.93
    diisobutyl methanol 763.4
    2-phenylethanol 646.47
    styrene 569.79
    dioctyl adipate 495.22
    dimethyl sulfate 199.65
    ethyl butyrate 1150.48
    methyl lactate 189.98
    butyl lactate 407.84
    diethyl carbonate 601.92
    propanediol butyl ether 402.71
    triethyl orthoformate 800.21
    p-tert-butyltoluene 687.28
    methyl 4-tert-butylbenzoate 527.25
    morpholine 1710.67
    tert-butylamine 903.81
    n-dodecanol 329.85
    dimethoxymethane 729.56
    ethylene carbonate 606.5
    cyrene 329.71
    2-ethoxyethyl acetate 662.69
    2-ethylhexyl acetate 1435.43
    1,2,4-trichlorobenzene 621.54
    4-methylpyridine 1187.66
    dibutyl ether 1249.8
    2,6-dimethyl-4-heptanol 763.4
    DEF 685.55
    dimethyl isosorbide 898.96
    tetrachloroethylene 581.87
    eugenol 362.74
    triacetin 543.13
    span 80 502.48
    1,4-butanediol 90.91
    1,1-dichloroethane 1088.49
    2-methyl-1-pentanol 428.52
    methyl formate 170.25
    2-methyl-1-butanol 634.84
    n-decane 325.79
    butyronitrile 1008.02
    3,7-dimethyl-1-octanol 637.51
    1-chlorooctane 670.45
    1-chlorotetradecane 274.2
    n-nonane 358.5
    undecane 231.67
    tert-butylcyclohexane 320.19
    cyclooctane 545.77
    cyclopentanol 899.91
    tetrahydropyran 2848.08
    tert-amyl methyl ether 947.03
    2,5,8-trioxanonane 701.93
    1-hexene 955.93
    2-isopropoxyethanol 349.05
    2,2,2-trifluoroethanol 58.16
    methyl butyrate 727.14

    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