(-)-Isokaurene

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  • Identifiers

    CAS number
    511-85-3

    Molecular formula
    C20H32

    SMILES
    CC1=CC23CCC4C(CCCC4(C2CCC1C3)C)(C)C

    Retention indicies (RI)

    • DB5: 1982.25

  • Odor profile

    Woody 86.75%
    Dry 56.02%
    Amber 53.73%
    Sweet 46.89%
    Cedar 42.13%
    Spicy 38.31%
    Musk 36.56%
    Green 34.22%
    Vetiver 30.34%
    Sandalwood 29.86%

    Scent© AI

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    9.5 (weak base)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Flash point est.
    156.52 ˚C

  • Synonyms

    • (-)-Isokaurene
    • Kaur-15-ene
    • Kryptomeren
    • Isophyllocladene
    • 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene
    • Isokaurane
    • Isokaurene
    • Isokauren
    • 15-Kaurene
    • Ent-15-Kaurene
    • Kauren-15-ene
    • CHEBI:144262
    • DQUHDYWUEKWRLN-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.91
    methanol 15.3
    isopropanol 41.43
    water 0.11
    ethyl acetate 175.6
    n-propanol 58.77
    acetone 132.99
    n-butanol 88.69
    acetonitrile 53.64
    DMF 107.77
    toluene 536.11
    isobutanol 59.12
    1,4-dioxane 338.3
    methyl acetate 96.75
    THF 697.32
    2-butanone 158.41
    n-pentanol 46.23
    sec-butanol 39.15
    n-hexane 38.28
    ethylene glycol 2.92
    NMP 196.72
    cyclohexane 134.56
    DMSO 35.85
    n-butyl acetate 238.61
    n-octanol 60.63
    chloroform 321.9
    n-propyl acetate 101.0
    acetic acid 27.54
    dichloromethane 249.09
    cyclohexanone 370.84
    propylene glycol 6.38
    isopropyl acetate 193.33
    DMAc 134.18
    2-ethoxyethanol 45.28
    isopentanol 97.85
    n-heptane 65.76
    ethyl formate 50.55
    1,2-dichloroethane 172.46
    n-hexanol 133.4
    2-methoxyethanol 65.99
    isobutyl acetate 122.71
    tetrachloromethane 81.67
    n-pentyl acetate 155.94
    transcutol 288.27
    n-heptanol 78.4
    ethylbenzene 148.06
    MIBK 199.55
    2-propoxyethanol 167.22
    tert-butanol 52.21
    MTBE 151.51
    2-butoxyethanol 104.29
    propionic acid 36.0
    o-xylene 222.29
    formic acid 5.14
    diethyl ether 236.25
    m-xylene 335.08
    p-xylene 169.9
    chlorobenzene 261.68
    dimethyl carbonate 74.91
    n-octane 19.28
    formamide 9.97
    cyclopentanone 371.43
    2-pentanone 210.62
    anisole 200.51
    cyclopentyl methyl ether 412.41
    gamma-butyrolactone 267.23
    1-methoxy-2-propanol 82.87
    pyridine 353.35
    3-pentanone 185.16
    furfural 182.44
    n-dodecane 13.19
    diethylene glycol 51.23
    diisopropyl ether 133.66
    tert-amyl alcohol 46.24
    acetylacetone 218.9
    n-hexadecane 16.37
    acetophenone 156.97
    methyl propionate 141.97
    isopentyl acetate 273.41
    trichloroethylene 302.75
    n-nonanol 67.99
    cyclohexanol 130.41
    benzyl alcohol 84.62
    2-ethylhexanol 123.37
    isooctanol 75.48
    dipropyl ether 251.61
    1,2-dichlorobenzene 212.92
    ethyl lactate 39.81
    propylene carbonate 159.23
    n-methylformamide 32.51
    2-pentanol 68.91
    n-pentane 57.71
    1-propoxy-2-propanol 156.0
    1-methoxy-2-propyl acetate 290.6
    2-(2-methoxypropoxy) propanol 119.59
    mesitylene 210.81
    ε-caprolactone 297.53
    p-cymene 140.77
    epichlorohydrin 260.19
    1,1,1-trichloroethane 207.99
    2-aminoethanol 10.6
    morpholine-4-carbaldehyde 221.88
    sulfolane 180.34
    2,2,4-trimethylpentane 27.39
    2-methyltetrahydrofuran 378.61
    n-hexyl acetate 191.78
    isooctane 31.46
    2-(2-butoxyethoxy)ethanol 143.72
    sec-butyl acetate 115.4
    tert-butyl acetate 231.07
    decalin 54.7
    glycerin 11.15
    diglyme 276.7
    acrylic acid 27.28
    isopropyl myristate 104.08
    n-butyric acid 99.16
    acetyl acetate 134.55
    di(2-ethylhexyl) phthalate 82.58
    ethyl propionate 119.98
    nitromethane 51.3
    1,2-diethoxyethane 201.86
    benzonitrile 139.38
    trioctyl phosphate 64.38
    1-bromopropane 187.04
    gamma-valerolactone 388.0
    n-decanol 51.38
    triethyl phosphate 93.4
    4-methyl-2-pentanol 69.76
    propionitrile 88.12
    vinylene carbonate 145.75
    1,1,2-trichlorotrifluoroethane 95.26
    DMS 145.49
    cumene 102.44
    2-octanol 51.5
    2-hexanone 111.43
    octyl acetate 106.47
    limonene 179.57
    1,2-dimethoxyethane 142.59
    ethyl orthosilicate 102.41
    tributyl phosphate 70.04
    diacetone alcohol 126.91
    N,N-dimethylaniline 141.06
    acrylonitrile 71.62
    aniline 206.91
    1,3-propanediol 31.24
    bromobenzene 351.41
    dibromomethane 203.67
    1,1,2,2-tetrachloroethane 225.68
    2-methyl-cyclohexyl acetate 180.03
    tetrabutyl urea 90.58
    diisobutyl methanol 91.3
    2-phenylethanol 157.62
    styrene 170.25
    dioctyl adipate 119.6
    dimethyl sulfate 73.15
    ethyl butyrate 190.77
    methyl lactate 42.37
    butyl lactate 87.91
    diethyl carbonate 112.1
    propanediol butyl ether 54.83
    triethyl orthoformate 168.16
    p-tert-butyltoluene 150.16
    methyl 4-tert-butylbenzoate 178.66
    morpholine 307.97
    tert-butylamine 56.03
    n-dodecanol 40.24
    dimethoxymethane 194.29
    ethylene carbonate 138.41
    cyrene 107.91
    2-ethoxyethyl acetate 199.43
    2-ethylhexyl acetate 245.36
    1,2,4-trichlorobenzene 236.89
    4-methylpyridine 367.26
    dibutyl ether 129.1
    2,6-dimethyl-4-heptanol 91.3
    DEF 177.8
    dimethyl isosorbide 267.41
    tetrachloroethylene 151.05
    eugenol 128.69
    triacetin 158.15
    span 80 108.03
    1,4-butanediol 9.6
    1,1-dichloroethane 164.72
    2-methyl-1-pentanol 57.67
    methyl formate 27.16
    2-methyl-1-butanol 84.08
    n-decane 25.85
    butyronitrile 110.44
    3,7-dimethyl-1-octanol 82.11
    1-chlorooctane 80.02
    1-chlorotetradecane 35.05
    n-nonane 22.39
    undecane 17.85
    tert-butylcyclohexane 42.92
    cyclooctane 67.14
    cyclopentanol 89.2
    tetrahydropyran 486.92
    tert-amyl methyl ether 127.38
    2,5,8-trioxanonane 182.71
    1-hexene 84.83
    2-isopropoxyethanol 51.09
    2,2,2-trifluoroethanol 15.68
    methyl butyrate 120.75

    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
Cypress, Leyland (Poland) Cupressocyparis leylandii (Dall. et Jacks.) Dall., fam. Cupressaceae 0.2%
Cupressus macrocarpa leaf (Argentina) Cupressus macrocarpa Hartw., fam. Cupressaceae 0.5%