1H-3a,7-Methanoazulene, octahydro-3,6,8,8-tetramethyl-6-[(3-methyl-2-buten-1-yl)oxy]-, (3R,3aS,6R,7R,8aS)-

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  • Identifiers

    CAS number
    67845-45-8

    Molecular formula
    C20H34O

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.84%
    Amber 58.43%
    Sandalwood 50.66%
    Dry 48.12%
    Cedar 48.02%
    Sweet 42.88%
    Vetiver 41.72%
    Musk 41.58%
    Balsamic 41.3%
    Powdery 39.6%

     

    Flavor
    Sweet 64.35%
    Woody 61.05%
    Balsam 42.27%
    Pine 42.03%
    Wood 37.4%
    Dry 33.07%
    Herbal 32.82%
    Fresh 31.27%
    Camphor 30.2%
    Balsamic 29.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    8.02 (weak base)

    Molecular weight
    290.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    361°C

    Flash point

    • 137.92 ˚C est.

  • Synonyms

    • DTXSID70886939
    • 1H-3a,7-Methanoazulene, octahydro-3,6,8,8-tetramethyl-6-((3-methyl-2-buten-1-yl)oxy)-, (3R,3aS,6R,7R,8aS)-
    • 1H-3a,7-Methanoazulene, octahydro-3,6,8,8-tetramethyl-6-[(3-methyl-2-buten-1-yl)oxy]-, (3R,3aS,6R,7R,8aS)-
    • RefChem:437992
    • DTXCID601026255
    • 67845-45-8
    • 1H-3a,7-Methanoazulene, octahydro-3,6,8,8-tetramethyl-6-((3-methyl-2-butenyl)oxy)-, (3R,3aR,6R,7R,8aS)-
    • 1H-3a,7-Methanoazulene, octahydro-3,6,8,8-tetramethyl-6-[(3-methyl-2-butenyl)oxy]-, (3R,3aR,6R,7R,8aS)-
    • Cedryl isoprenyl ether
    • EINECS 267-316-0
    • KZKIRFLJWHVKJB-DSJDWBEOSA-N
    • 8-[(3-Methylbut-2-en-1-yl)oxy]-8alpha-cedrane
    • (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-Octahydro-3,6,8,8-tetramethyl-6-((3-methylbut-2-enyl)oxy)-1H-3a,7-methanoazulene
    • 67845-45-8

  • Applications

    1H-3a,7-Methanoazulene, octahydro-3,6,8,8-tetramethyl-6-[(3-methyl-2-buten-1-yl)oxy]-, (3R,3aS,6R,7R,8aS)- (CAS 67845-45-8) is a specialty chemical intermediate used in organic synthesis, providing a saturated azulene framework for building block chemistry and the preparation of other azulene-derived compounds in industrial manufacturing. It may be employed as a fragrance component or odorant in perfumery and cosmetics, serving as a potential olfactory contributor or fixative in limited applications. In polymer and coatings contexts, it can act as a precursor or additive to explore structure–property relationships in polymers and coatings/inks. The compound is also commonly evaluated in research and development as a starting point for synthesizing novel specialty chemicals and intermediates for advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 187.45
    methanol 77.16
    isopropanol 220.3
    water 1.29
    ethyl acetate 644.36
    n-propanol 258.14
    acetone 449.65
    n-butanol 345.39
    acetonitrile 306.78
    DMF 342.84
    toluene 1326.39
    isobutanol 264.34
    1,4-dioxane 1115.14
    methyl acetate 406.1
    THF 1645.08
    2-butanone 475.5
    n-pentanol 198.78
    sec-butanol 226.49
    n-hexane 160.54
    ethylene glycol 16.75
    NMP 568.19
    cyclohexane 458.21
    DMSO 156.21
    n-butyl acetate 602.76
    n-octanol 234.14
    chloroform 1734.78
    n-propyl acetate 368.82
    acetic acid 198.19
    dichloromethane 1195.87
    cyclohexanone 1075.7
    propylene glycol 37.66
    isopropyl acetate 630.06
    DMAc 433.09
    2-ethoxyethanol 214.54
    isopentanol 385.07
    n-heptane 175.17
    ethyl formate 231.07
    1,2-dichloroethane 675.08
    n-hexanol 410.63
    2-methoxyethanol 287.16
    isobutyl acetate 365.73
    tetrachloromethane 392.09
    n-pentyl acetate 440.89
    transcutol 1003.16
    n-heptanol 252.63
    ethylbenzene 499.11
    MIBK 519.52
    2-propoxyethanol 550.93
    tert-butanol 274.23
    MTBE 552.49
    2-butoxyethanol 365.76
    propionic acid 195.0
    o-xylene 635.14
    formic acid 42.55
    diethyl ether 716.67
    m-xylene 892.76
    p-xylene 600.31
    chlorobenzene 841.35
    dimethyl carbonate 232.14
    n-octane 57.64
    formamide 70.23
    cyclopentanone 955.85
    2-pentanone 573.43
    anisole 622.11
    cyclopentyl methyl ether 1118.92
    gamma-butyrolactone 830.83
    1-methoxy-2-propanol 337.48
    pyridine 966.21
    3-pentanone 497.97
    furfural 635.22
    n-dodecane 42.19
    diethylene glycol 212.37
    diisopropyl ether 411.09
    tert-amyl alcohol 237.19
    acetylacetone 647.06
    n-hexadecane 51.65
    acetophenone 492.07
    methyl propionate 444.14
    isopentyl acetate 671.33
    trichloroethylene 1255.36
    n-nonanol 234.2
    cyclohexanol 539.52
    benzyl alcohol 337.18
    2-ethylhexanol 339.99
    isooctanol 244.03
    dipropyl ether 530.13
    1,2-dichlorobenzene 759.79
    ethyl lactate 164.04
    propylene carbonate 531.07
    n-methylformamide 135.22
    2-pentanol 308.18
    n-pentane 190.14
    1-propoxy-2-propanol 459.2
    1-methoxy-2-propyl acetate 700.35
    2-(2-methoxypropoxy) propanol 353.04
    mesitylene 582.45
    ε-caprolactone 887.71
    p-cymene 336.75
    epichlorohydrin 904.88
    1,1,1-trichloroethane 934.64
    2-aminoethanol 61.09
    morpholine-4-carbaldehyde 688.12
    sulfolane 587.6
    2,2,4-trimethylpentane 107.44
    2-methyltetrahydrofuran 1200.53
    n-hexyl acetate 581.57
    isooctane 103.17
    2-(2-butoxyethoxy)ethanol 435.66
    sec-butyl acetate 387.65
    tert-butyl acetate 656.17
    decalin 193.07
    glycerin 62.08
    diglyme 832.15
    acrylic acid 147.19
    isopropyl myristate 277.77
    n-butyric acid 417.31
    acetyl acetate 517.16
    di(2-ethylhexyl) phthalate 222.92
    ethyl propionate 398.36
    nitromethane 309.64
    1,2-diethoxyethane 566.34
    benzonitrile 529.68
    trioctyl phosphate 167.89
    1-bromopropane 612.45
    gamma-valerolactone 1118.54
    n-decanol 166.54
    triethyl phosphate 249.61
    4-methyl-2-pentanol 262.85
    propionitrile 352.94
    vinylene carbonate 516.01
    1,1,2-trichlorotrifluoroethane 440.17
    DMS 439.55
    cumene 326.27
    2-octanol 178.46
    2-hexanone 363.01
    octyl acetate 308.34
    limonene 430.15
    1,2-dimethoxyethane 515.9
    ethyl orthosilicate 272.24
    tributyl phosphate 192.62
    diacetone alcohol 389.69
    N,N-dimethylaniline 414.05
    acrylonitrile 300.84
    aniline 640.95
    1,3-propanediol 144.46
    bromobenzene 1092.63
    dibromomethane 883.72
    1,1,2,2-tetrachloroethane 1003.18
    2-methyl-cyclohexyl acetate 461.19
    tetrabutyl urea 225.36
    diisobutyl methanol 238.76
    2-phenylethanol 469.94
    styrene 524.5
    dioctyl adipate 334.93
    dimethyl sulfate 248.7
    ethyl butyrate 488.03
    methyl lactate 169.77
    butyl lactate 260.28
    diethyl carbonate 329.05
    propanediol butyl ether 229.4
    triethyl orthoformate 408.56
    p-tert-butyltoluene 341.21
    methyl 4-tert-butylbenzoate 492.57
    morpholine 1033.69
    tert-butylamine 261.36
    n-dodecanol 126.65
    dimethoxymethane 518.13
    ethylene carbonate 491.65
    cyrene 317.34
    2-ethoxyethyl acetate 567.38
    2-ethylhexyl acetate 602.97
    1,2,4-trichlorobenzene 801.05
    4-methylpyridine 1025.0
    dibutyl ether 364.77
    2,6-dimethyl-4-heptanol 238.76
    DEF 510.6
    dimethyl isosorbide 679.22
    tetrachloroethylene 670.4
    eugenol 373.1
    triacetin 502.88
    span 80 337.2
    1,4-butanediol 51.43
    1,1-dichloroethane 766.61
    2-methyl-1-pentanol 246.9
    methyl formate 112.83
    2-methyl-1-butanol 344.57
    n-decane 81.85
    butyronitrile 446.74
    3,7-dimethyl-1-octanol 272.53
    1-chlorooctane 246.04
    1-chlorotetradecane 106.87
    n-nonane 74.46
    undecane 56.91
    tert-butylcyclohexane 149.43
    cyclooctane 220.85
    cyclopentanol 399.34
    tetrahydropyran 1434.79
    tert-amyl methyl ether 427.65
    2,5,8-trioxanonane 506.62
    1-hexene 304.65
    2-isopropoxyethanol 225.23
    2,2,2-trifluoroethanol 116.36
    methyl butyrate 409.89

    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