4H-4a,9-Methanoazuleno[5,6-d]-1,3-dioxole, octahydro-2,2,5,8,8,9a-hexamethyl-, (4aR,5R,7aS,9R)-

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  • Identifiers

    CAS number
    211299-54-6

    Molecular formula
    C18H30O2

    SMILES
    C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C4(C(C3)OC(O4)(C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 83.23%
    Amber 59.11%
    Dry 49.03%
    Cedar 49.03%
    Spicy 43.21%
    Musk 37.47%
    Earthy 37.2%
    Vetiver 36.25%
    Fresh 36.02%
    Green 35.82%

     

    Flavor
    Sweet 54.8%
    Green 49.61%
    Herbal 48.55%
    Woody 47.81%
    Earthy 47.77%
    Pine 46.72%
    Camphor 46.32%
    Earth 34.97%
    Minty 34.31%
    Dry 31.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.36 (neutral)

    Molecular weight
    278.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point

    • 112.04 ˚C est.

  • Synonyms

    • 211299-54-6
    • 4H-4a,9-Methanoazuleno[5,6-d]-1,3-dioxole, octahydro-2,2,5,8,8,9a-hexamethyl-, (4aR,5R,7aS,9R)-
    • DTXSID50889120
    • (1R,8R,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
    • 4H-4a,9-Methanoazuleno(5,6-d)-1,3-dioxole, octahydro-2,2,5,8,8,9a-hexamethyl-, (4aR,5R,7aS,9R)-
    • AMbrocenide
    • SCHEMBL580072
    • YJVLDTISLGRQTJ-KPFXUCSBSA-N
    • DTXCID801028388
    • EX-A5521
    • (1R,8R,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.0?,??.0?,?]tetradecane

  • Applications

    Compound 4H-4a,9-Methanoazuleno[5,6-d]-1,3-dioxole, octahydro-2,2,5,8,8,9a-hexamethyl-, (4aR,5R,7aS,9R)- (CAS 211299-54-6) is typically used as an organic synthesis intermediate with relevance to fragrance chemistry; it may function as an odorant or fragrance fixative in cosmetics, personal care, and household products. In the broader industrial context, it can be evaluated as a specialty additive or intermediate for polymers/plastics and coatings/inks, helping to introduce rigid aromatic motifs or influence processing. Use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.89
    methanol 186.41
    isopropanol 180.35
    water 12.47
    ethyl acetate 385.12
    n-propanol 216.48
    acetone 375.6
    n-butanol 219.51
    acetonitrile 334.98
    DMF 513.39
    toluene 653.38
    isobutanol 206.53
    1,4-dioxane 762.88
    methyl acetate 397.33
    THF 1112.88
    2-butanone 381.78
    n-pentanol 138.44
    sec-butanol 161.12
    n-hexane 50.4
    ethylene glycol 59.21
    NMP 707.68
    cyclohexane 173.5
    DMSO 256.9
    n-butyl acetate 319.54
    n-octanol 140.9
    chloroform 1427.36
    n-propyl acetate 248.14
    acetic acid 311.3
    dichloromethane 922.95
    cyclohexanone 780.81
    propylene glycol 74.57
    isopropyl acetate 349.46
    DMAc 537.47
    2-ethoxyethanol 199.01
    isopentanol 208.89
    n-heptane 44.51
    ethyl formate 251.46
    1,2-dichloroethane 495.04
    n-hexanol 233.66
    2-methoxyethanol 335.79
    isobutyl acetate 242.6
    tetrachloromethane 286.08
    n-pentyl acetate 278.77
    transcutol 407.77
    n-heptanol 155.6
    ethylbenzene 248.06
    MIBK 273.41
    2-propoxyethanol 403.31
    tert-butanol 174.25
    MTBE 221.69
    2-butoxyethanol 264.53
    propionic acid 266.56
    o-xylene 324.06
    formic acid 133.11
    diethyl ether 271.45
    m-xylene 412.21
    p-xylene 350.61
    chlorobenzene 619.84
    dimethyl carbonate 275.92
    n-octane 20.52
    formamide 170.75
    cyclopentanone 822.09
    2-pentanone 331.42
    anisole 344.92
    cyclopentyl methyl ether 566.21
    gamma-butyrolactone 925.0
    1-methoxy-2-propanol 298.03
    pyridine 794.41
    3-pentanone 324.35
    furfural 730.11
    n-dodecane 20.98
    diethylene glycol 259.55
    diisopropyl ether 152.89
    tert-amyl alcohol 140.43
    acetylacetone 464.56
    n-hexadecane 25.12
    acetophenone 344.37
    methyl propionate 364.06
    isopentyl acetate 334.31
    trichloroethylene 971.86
    n-nonanol 137.75
    cyclohexanol 337.26
    benzyl alcohol 266.85
    2-ethylhexanol 165.59
    isooctanol 135.83
    dipropyl ether 196.06
    1,2-dichlorobenzene 540.43
    ethyl lactate 157.6
    propylene carbonate 579.66
    n-methylformamide 285.72
    2-pentanol 158.52
    n-pentane 58.04
    1-propoxy-2-propanol 271.51
    1-methoxy-2-propyl acetate 401.84
    2-(2-methoxypropoxy) propanol 212.31
    mesitylene 256.48
    ε-caprolactone 673.96
    p-cymene 157.22
    epichlorohydrin 782.03
    1,1,1-trichloroethane 600.08
    2-aminoethanol 127.29
    morpholine-4-carbaldehyde 704.57
    sulfolane 675.22
    2,2,4-trimethylpentane 37.8
    2-methyltetrahydrofuran 672.23
    n-hexyl acetate 348.03
    isooctane 31.61
    2-(2-butoxyethoxy)ethanol 259.0
    sec-butyl acetate 233.11
    tert-butyl acetate 331.31
    decalin 77.92
    glycerin 129.65
    diglyme 495.1
    acrylic acid 253.67
    isopropyl myristate 159.76
    n-butyric acid 351.61
    acetyl acetate 406.28
    di(2-ethylhexyl) phthalate 162.45
    ethyl propionate 267.81
    nitromethane 527.86
    1,2-diethoxyethane 222.99
    benzonitrile 426.33
    trioctyl phosphate 125.71
    1-bromopropane 341.59
    gamma-valerolactone 991.45
    n-decanol 100.72
    triethyl phosphate 159.81
    4-methyl-2-pentanol 130.92
    propionitrile 331.65
    vinylene carbonate 639.41
    1,1,2-trichlorotrifluoroethane 471.1
    DMS 370.61
    cumene 164.69
    2-octanol 111.19
    2-hexanone 224.11
    octyl acetate 189.94
    limonene 181.2
    1,2-dimethoxyethane 389.11
    ethyl orthosilicate 162.63
    tributyl phosphate 138.49
    diacetone alcohol 237.74
    N,N-dimethylaniline 249.87
    acrylonitrile 376.04
    aniline 436.54
    1,3-propanediol 186.64
    bromobenzene 733.6
    dibromomethane 621.65
    1,1,2,2-tetrachloroethane 823.21
    2-methyl-cyclohexyl acetate 265.27
    tetrabutyl urea 162.61
    diisobutyl methanol 108.56
    2-phenylethanol 317.99
    styrene 293.41
    dioctyl adipate 204.42
    dimethyl sulfate 337.73
    ethyl butyrate 249.84
    methyl lactate 196.06
    butyl lactate 195.79
    diethyl carbonate 200.24
    propanediol butyl ether 182.43
    triethyl orthoformate 220.66
    p-tert-butyltoluene 156.43
    methyl 4-tert-butylbenzoate 312.95
    morpholine 667.38
    tert-butylamine 130.4
    n-dodecanol 77.81
    dimethoxymethane 477.3
    ethylene carbonate 566.43
    cyrene 274.18
    2-ethoxyethyl acetate 342.24
    2-ethylhexyl acetate 303.18
    1,2,4-trichlorobenzene 602.17
    4-methylpyridine 725.05
    dibutyl ether 146.67
    2,6-dimethyl-4-heptanol 108.56
    DEF 340.45
    dimethyl isosorbide 428.61
    tetrachloroethylene 578.19
    eugenol 281.77
    triacetin 322.98
    span 80 212.18
    1,4-butanediol 82.69
    1,1-dichloroethane 523.19
    2-methyl-1-pentanol 147.92
    methyl formate 258.19
    2-methyl-1-butanol 201.23
    n-decane 34.7
    butyronitrile 307.95
    3,7-dimethyl-1-octanol 134.96
    1-chlorooctane 122.78
    1-chlorotetradecane 57.89
    n-nonane 29.93
    undecane 26.06
    tert-butylcyclohexane 57.35
    cyclooctane 72.02
    cyclopentanol 340.38
    tetrahydropyran 722.18
    tert-amyl methyl ether 184.39
    2,5,8-trioxanonane 319.22
    1-hexene 120.06
    2-isopropoxyethanol 170.55
    2,2,2-trifluoroethanol 196.5
    methyl butyrate 292.32

    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