(3S,3aS,6R,8aS)-3,7,7-Trimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene

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  • Identifiers

    CAS number
    18444-94-5

    Molecular formula
    C15H24

    SMILES
    C[C@H]1CC[C@H]2[C@]13CC[C@H](C3)C(C2=C)(C)C

  • Odor profile

    Woody 87.93%
    Sweet 55.12%
    Dry 47.07%
    Spicy 44.79%
    Camphoreous 44.73%
    Herbal 44.19%
    Fresh 42.98%
    Green 42.26%
    Pine 41.68%
    Terpenic 41.49%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    10.29 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point est.
    103.4 ˚C

  • Synonyms

    • Khusene
    • 18444-94-5
    • Zizaene
    • (1S,2S,5S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane
    • (3S,3aS,6R,8aS)-3,7,7-Trimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene
    • (3S)-2,3,4,5,6,7,8,8aalpha-Octahydro-3,7,7-trimethyl-8-methylene-1H-3aalpha,6alpha-methanoazulene
    • VBZRHXLPRWBPEH-ZGFBFQLVSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 183.08
    methanol 131.86
    isopropanol 225.4
    water 0.65
    ethyl acetate 454.73
    n-propanol 208.43
    acetone 427.12
    n-butanol 248.46
    acetonitrile 337.13
    DMF 438.97
    toluene 734.07
    isobutanol 178.16
    1,4-dioxane 873.71
    methyl acetate 337.82
    THF 1802.43
    2-butanone 376.36
    n-pentanol 101.45
    sec-butanol 136.15
    n-hexane 53.79
    ethylene glycol 20.17
    NMP 341.18
    cyclohexane 175.0
    DMSO 172.31
    n-butyl acetate 574.35
    n-octanol 146.09
    chloroform 923.85
    n-propyl acetate 235.86
    acetic acid 99.31
    dichloromethane 804.97
    cyclohexanone 708.0
    propylene glycol 33.53
    isopropyl acetate 429.42
    DMAc 287.58
    2-ethoxyethanol 135.51
    isopentanol 229.21
    n-heptane 110.01
    ethyl formate 239.37
    1,2-dichloroethane 467.84
    n-hexanol 277.98
    2-methoxyethanol 269.18
    isobutyl acetate 231.51
    tetrachloromethane 265.12
    n-pentyl acetate 291.31
    transcutol 554.28
    n-heptanol 160.91
    ethylbenzene 255.35
    MIBK 368.48
    2-propoxyethanol 403.59
    tert-butanol 257.96
    MTBE 394.9
    2-butoxyethanol 223.72
    propionic acid 116.38
    o-xylene 347.31
    formic acid 25.02
    diethyl ether 443.84
    m-xylene 494.72
    p-xylene 337.44
    chlorobenzene 527.0
    dimethyl carbonate 192.0
    n-octane 40.11
    formamide 61.18
    cyclopentanone 901.25
    2-pentanone 418.39
    anisole 386.79
    cyclopentyl methyl ether 670.57
    gamma-butyrolactone 770.69
    1-methoxy-2-propanol 274.3
    pyridine 783.66
    3-pentanone 310.68
    furfural 509.12
    n-dodecane 28.12
    diethylene glycol 168.47
    diisopropyl ether 228.55
    tert-amyl alcohol 148.28
    acetylacetone 534.6
    n-hexadecane 34.31
    acetophenone 302.55
    methyl propionate 316.94
    isopentyl acetate 548.52
    trichloroethylene 788.3
    n-nonanol 140.25
    cyclohexanol 260.15
    benzyl alcohol 201.44
    2-ethylhexanol 207.4
    isooctanol 141.54
    dipropyl ether 436.02
    1,2-dichlorobenzene 450.91
    ethyl lactate 94.62
    propylene carbonate 413.77
    n-methylformamide 191.98
    2-pentanol 169.22
    n-pentane 80.72
    1-propoxy-2-propanol 354.48
    1-methoxy-2-propyl acetate 552.31
    2-(2-methoxypropoxy) propanol 218.57
    mesitylene 343.0
    ε-caprolactone 558.23
    p-cymene 265.7
    epichlorohydrin 707.07
    1,1,1-trichloroethane 559.8
    2-aminoethanol 54.23
    morpholine-4-carbaldehyde 472.76
    sulfolane 466.92
    2,2,4-trimethylpentane 41.69
    2-methyltetrahydrofuran 801.55
    n-hexyl acetate 348.81
    isooctane 58.24
    2-(2-butoxyethoxy)ethanol 277.45
    sec-butyl acetate 216.29
    tert-butyl acetate 470.02
    decalin 75.29
    glycerin 51.34
    diglyme 577.76
    acrylic acid 89.44
    isopropyl myristate 182.17
    n-butyric acid 280.1
    acetyl acetate 343.41
    di(2-ethylhexyl) phthalate 146.13
    ethyl propionate 254.39
    nitromethane 250.57
    1,2-diethoxyethane 425.59
    benzonitrile 402.07
    trioctyl phosphate 115.63
    1-bromopropane 404.16
    gamma-valerolactone 807.58
    n-decanol 103.89
    triethyl phosphate 167.88
    4-methyl-2-pentanol 156.12
    propionitrile 394.08
    vinylene carbonate 405.12
    1,1,2-trichlorotrifluoroethane 232.07
    DMS 298.36
    cumene 181.7
    2-octanol 109.13
    2-hexanone 230.36
    octyl acetate 187.75
    limonene 286.67
    1,2-dimethoxyethane 422.47
    ethyl orthosilicate 174.5
    tributyl phosphate 137.94
    diacetone alcohol 289.36
    N,N-dimethylaniline 253.48
    acrylonitrile 382.65
    aniline 413.2
    1,3-propanediol 137.14
    bromobenzene 668.08
    dibromomethane 572.56
    1,1,2,2-tetrachloroethane 517.97
    2-methyl-cyclohexyl acetate 291.62
    tetrabutyl urea 166.35
    diisobutyl methanol 178.15
    2-phenylethanol 333.38
    styrene 296.65
    dioctyl adipate 202.06
    dimethyl sulfate 187.94
    ethyl butyrate 397.74
    methyl lactate 117.03
    butyl lactate 174.23
    diethyl carbonate 245.97
    propanediol butyl ether 142.76
    triethyl orthoformate 284.27
    p-tert-butyltoluene 281.09
    methyl 4-tert-butylbenzoate 318.56
    morpholine 726.92
    tert-butylamine 221.78
    n-dodecanol 81.15
    dimethoxymethane 554.86
    ethylene carbonate 379.54
    cyrene 183.28
    2-ethoxyethyl acetate 358.85
    2-ethylhexyl acetate 440.55
    1,2,4-trichlorobenzene 444.89
    4-methylpyridine 780.59
    dibutyl ether 262.96
    2,6-dimethyl-4-heptanol 178.15
    DEF 338.68
    dimethyl isosorbide 505.88
    tetrachloroethylene 382.37
    eugenol 235.55
    triacetin 271.61
    span 80 202.56
    1,4-butanediol 37.74
    1,1-dichloroethane 500.36
    2-methyl-1-pentanol 104.92
    methyl formate 164.53
    2-methyl-1-butanol 165.64
    n-decane 50.31
    butyronitrile 428.7
    3,7-dimethyl-1-octanol 166.81
    1-chlorooctane 145.77
    1-chlorotetradecane 66.57
    n-nonane 47.03
    undecane 36.37
    tert-butylcyclohexane 69.46
    cyclooctane 83.72
    cyclopentanol 262.56
    tetrahydropyran 885.04
    tert-amyl methyl ether 230.88
    2,5,8-trioxanonane 363.04
    1-hexene 139.72
    2-isopropoxyethanol 126.97
    2,2,2-trifluoroethanol 61.13
    methyl butyrate 279.95

    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
Vetiver (Haiti) 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 1.3%