[3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5(4H)-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    13567-40-3

    Molecular formula
    C15H24O

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

    Retention indicies (RI)

    • DB5: 1638.0

  • Odor profile

    Woody 87.93%
    Cedar 57.8%
    Amber 55.66%
    Dry 50.53%
    Spicy 42.15%
    Vetiver 40.06%
    Camphoreous 39.57%
    Earthy 37.98%
    Musk 36.5%
    Tobacco 33.89%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    315°C

    Flash point est.
    127.49 ˚C

  • Synonyms

    • 13567-40-3
    • (1R,2R,5S,7S,8R)-2,6,6,8-Tetramethyltricyclo[5.3.1.01,5]undecan-9-one
    • [3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5(4H)-one
    • SCHEMBL24245773

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 149.03
    methanol 190.45
    isopropanol 173.81
    water 6.89
    ethyl acetate 206.7
    n-propanol 154.53
    acetone 285.15
    n-butanol 142.85
    acetonitrile 255.28
    DMF 385.16
    toluene 349.13
    isobutanol 116.79
    1,4-dioxane 465.02
    methyl acetate 217.16
    THF 669.47
    2-butanone 246.53
    n-pentanol 63.5
    sec-butanol 87.17
    n-hexane 6.87
    ethylene glycol 55.78
    NMP 232.0
    cyclohexane 29.62
    DMSO 156.85
    n-butyl acetate 165.51
    n-octanol 68.78
    chloroform 819.33
    n-propyl acetate 111.73
    acetic acid 113.09
    dichloromethane 583.17
    cyclohexanone 397.69
    propylene glycol 54.84
    isopropyl acetate 174.02
    DMAc 217.6
    2-ethoxyethanol 114.48
    isopentanol 116.59
    n-heptane 10.2
    ethyl formate 177.02
    1,2-dichloroethane 306.04
    n-hexanol 125.42
    2-methoxyethanol 271.98
    isobutyl acetate 94.5
    tetrachloromethane 150.43
    n-pentyl acetate 125.32
    transcutol 233.48
    n-heptanol 86.55
    ethylbenzene 127.89
    MIBK 161.59
    2-propoxyethanol 262.28
    tert-butanol 149.82
    MTBE 115.26
    2-butoxyethanol 158.4
    propionic acid 114.74
    o-xylene 191.91
    formic acid 58.55
    diethyl ether 129.74
    m-xylene 233.73
    p-xylene 174.22
    chlorobenzene 331.21
    dimethyl carbonate 121.58
    n-octane 6.71
    formamide 111.48
    cyclopentanone 500.6
    2-pentanone 199.46
    anisole 204.51
    cyclopentyl methyl ether 221.72
    gamma-butyrolactone 479.25
    1-methoxy-2-propanol 245.07
    pyridine 479.76
    3-pentanone 157.43
    furfural 437.13
    n-dodecane 6.7
    diethylene glycol 201.92
    diisopropyl ether 58.13
    tert-amyl alcohol 75.84
    acetylacetone 279.61
    n-hexadecane 8.08
    acetophenone 185.92
    methyl propionate 178.73
    isopentyl acetate 169.41
    trichloroethylene 570.97
    n-nonanol 66.81
    cyclohexanol 134.03
    benzyl alcohol 163.42
    2-ethylhexanol 76.76
    isooctanol 70.21
    dipropyl ether 75.15
    1,2-dichlorobenzene 287.81
    ethyl lactate 76.08
    propylene carbonate 260.77
    n-methylformamide 231.06
    2-pentanol 84.81
    n-pentane 12.29
    1-propoxy-2-propanol 173.62
    1-methoxy-2-propyl acetate 214.0
    2-(2-methoxypropoxy) propanol 123.22
    mesitylene 141.52
    ε-caprolactone 293.01
    p-cymene 89.21
    epichlorohydrin 484.52
    1,1,1-trichloroethane 354.05
    2-aminoethanol 97.08
    morpholine-4-carbaldehyde 352.49
    sulfolane 317.95
    2,2,4-trimethylpentane 8.31
    2-methyltetrahydrofuran 280.17
    n-hexyl acetate 147.64
    isooctane 10.2
    2-(2-butoxyethoxy)ethanol 153.17
    sec-butyl acetate 89.71
    tert-butyl acetate 160.94
    decalin 17.69
    glycerin 93.52
    diglyme 297.45
    acrylic acid 111.97
    isopropyl myristate 66.31
    n-butyric acid 184.08
    acetyl acetate 178.1
    di(2-ethylhexyl) phthalate 78.88
    ethyl propionate 116.03
    nitromethane 287.78
    1,2-diethoxyethane 123.78
    benzonitrile 294.94
    trioctyl phosphate 55.38
    1-bromopropane 157.95
    gamma-valerolactone 563.31
    n-decanol 48.96
    triethyl phosphate 68.97
    4-methyl-2-pentanol 71.39
    propionitrile 251.94
    vinylene carbonate 309.8
    1,1,2-trichlorotrifluoroethane 247.06
    DMS 172.91
    cumene 88.35
    2-octanol 55.61
    2-hexanone 107.72
    octyl acetate 77.25
    limonene 84.77
    1,2-dimethoxyethane 212.14
    ethyl orthosilicate 65.53
    tributyl phosphate 60.14
    diacetone alcohol 154.34
    N,N-dimethylaniline 127.42
    acrylonitrile 327.71
    aniline 255.79
    1,3-propanediol 158.5
    bromobenzene 356.55
    dibromomethane 343.28
    1,1,2,2-tetrachloroethane 416.2
    2-methyl-cyclohexyl acetate 110.11
    tetrabutyl urea 73.39
    diisobutyl methanol 57.88
    2-phenylethanol 214.67
    styrene 139.96
    dioctyl adipate 79.98
    dimethyl sulfate 152.51
    ethyl butyrate 116.0
    methyl lactate 109.8
    butyl lactate 103.86
    diethyl carbonate 90.7
    propanediol butyl ether 108.26
    triethyl orthoformate 87.89
    p-tert-butyltoluene 84.75
    methyl 4-tert-butylbenzoate 166.64
    morpholine 383.85
    tert-butylamine 94.95
    n-dodecanol 36.73
    dimethoxymethane 308.23
    ethylene carbonate 262.01
    cyrene 124.78
    2-ethoxyethyl acetate 179.34
    2-ethylhexyl acetate 130.35
    1,2,4-trichlorobenzene 293.75
    4-methylpyridine 444.7
    dibutyl ether 55.89
    2,6-dimethyl-4-heptanol 57.88
    DEF 163.23
    dimethyl isosorbide 228.77
    tetrachloroethylene 304.88
    eugenol 165.05
    triacetin 144.32
    span 80 107.11
    1,4-butanediol 52.24
    1,1-dichloroethane 324.84
    2-methyl-1-pentanol 59.77
    methyl formate 206.05
    2-methyl-1-butanol 88.59
    n-decane 11.63
    butyronitrile 214.53
    3,7-dimethyl-1-octanol 69.02
    1-chlorooctane 49.39
    1-chlorotetradecane 20.95
    n-nonane 9.76
    undecane 8.64
    tert-butylcyclohexane 15.95
    cyclooctane 11.88
    cyclopentanol 148.86
    tetrahydropyran 321.89
    tert-amyl methyl ether 72.3
    2,5,8-trioxanonane 191.64
    1-hexene 29.88
    2-isopropoxyethanol 92.37
    2,2,2-trifluoroethanol 97.23
    methyl butyrate 137.12

    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
Santolina insularis (Italy) 1b hydrodistilled Santolina insularis L., fam. Asteraceae (Compositae) 0.8%
Eucalyptus camaldulensis (Egypt) fruit Eucalyptus camaldulensis Dehn. var. brevirostris, fam. Myrtaceae 0.52%