4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, acetate, stereoisomer

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  • Identifiers

    CAS number
    17622-35-4

    Molecular formula
    C17H28O2

    SMILES
    CC(=O)OC1C2(CCCC1(C3C2CC(C3)(C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.48%
    Cedar 54.17%
    Amber 54.04%
    Dry 49.93%
    Balsamic 45.81%
    Spicy 44.86%
    Pine 44.05%
    Herbal 42.29%
    Earthy 40.83%
    Vetiver 40.81%

     

    Flavor
    Sweet 77.7%
    Woody 71.47%
    Herbal 59.96%
    Pine 55.84%
    Camphor 55.48%
    Balsam 45.37%
    Dry 41.32%
    Citrus 38.15%
    Fresh 36.2%
    Earthy 35.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.52 (neutral)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    306°C

    Flash point

    • 142.15 ˚C est.

  • Synonyms

    • DTXSID001139349
    • 4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, acetate, stereoisomer
    • 17622-35-4
    • RefChem:508405
    • DTXCID601570971
    • alpha-Caryophyllene alcohol acetate
    • CHEBI:173883
    • 2,2,4,8-Tetramethyldecahydro-4,8-methanoazulen-9-yl acetate
    • (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate
    • 17622-35-4

  • Applications

    4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, acetate, stereoisomer (CAS 17622-35-4) is used primarily in fragrance applications as an odorant and fragrance ingredient with a rigid, chiral azulene-derived framework and an ester that can contribute volatility and character; it can function as a low-volatility fixative to help retain top notes in perfumery. It is also employed in cosmetics/personal care formulations to impart a niche woody/amber aroma as part of scented products. In household products such as air fresheners and cleaners, it may serve as a fragrance component to provide distinctive scent profiles. In industrial manufacturing, it can serve as a chiral building block or intermediate for synthesis of specialty fragrance compounds and for development of scent-release materials in polymers or coatings. When used, it is typically formulation-dependent and subject to local regulations and constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 369.29
    methanol 404.36
    isopropanol 697.29
    water 4.94
    ethyl acetate 869.93
    n-propanol 515.52
    acetone 1262.76
    n-butanol 538.64
    acetonitrile 674.27
    DMF 1669.9
    toluene 934.2
    isobutanol 552.3
    1,4-dioxane 1322.1
    methyl acetate 921.25
    THF 2423.96
    2-butanone 1157.22
    n-pentanol 279.89
    sec-butanol 534.37
    n-hexane 44.32
    ethylene glycol 151.85
    NMP 1066.63
    cyclohexane 123.6
    DMSO 659.6
    n-butyl acetate 596.08
    n-octanol 296.91
    chloroform 2562.7
    n-propyl acetate 471.37
    acetic acid 330.41
    dichloromethane 1678.46
    cyclohexanone 1498.45
    propylene glycol 267.85
    isopropyl acetate 772.74
    DMAc 1130.17
    2-ethoxyethanol 398.38
    isopentanol 496.05
    n-heptane 40.96
    ethyl formate 582.41
    1,2-dichloroethane 1079.42
    n-hexanol 442.49
    2-methoxyethanol 750.72
    isobutyl acetate 438.32
    tetrachloromethane 399.83
    n-pentyl acetate 505.59
    transcutol 701.79
    n-heptanol 297.32
    ethylbenzene 416.67
    MIBK 612.42
    2-propoxyethanol 704.49
    tert-butanol 738.48
    MTBE 780.99
    2-butoxyethanol 479.42
    propionic acid 430.06
    o-xylene 535.09
    formic acid 132.36
    diethyl ether 560.59
    m-xylene 687.56
    p-xylene 606.35
    chlorobenzene 948.62
    dimethyl carbonate 500.8
    n-octane 32.85
    formamide 238.19
    cyclopentanone 2033.75
    2-pentanone 878.51
    anisole 621.47
    cyclopentyl methyl ether 987.12
    gamma-butyrolactone 1881.36
    1-methoxy-2-propanol 837.89
    pyridine 1164.87
    3-pentanone 690.98
    furfural 1297.6
    n-dodecane 31.49
    diethylene glycol 459.1
    diisopropyl ether 279.2
    tert-amyl alcohol 527.0
    acetylacetone 1087.62
    n-hexadecane 37.9
    acetophenone 596.76
    methyl propionate 750.33
    isopentyl acetate 653.29
    trichloroethylene 2176.28
    n-nonanol 264.0
    cyclohexanol 655.43
    benzyl alcohol 492.04
    2-ethylhexanol 267.92
    isooctanol 257.03
    dipropyl ether 274.96
    1,2-dichlorobenzene 815.98
    ethyl lactate 297.98
    propylene carbonate 1188.75
    n-methylformamide 665.0
    2-pentanol 434.09
    n-pentane 60.1
    1-propoxy-2-propanol 559.49
    1-methoxy-2-propyl acetate 723.75
    2-(2-methoxypropoxy) propanol 385.97
    mesitylene 412.95
    ε-caprolactone 1121.14
    p-cymene 248.73
    epichlorohydrin 1766.13
    1,1,1-trichloroethane 1340.36
    2-aminoethanol 274.78
    morpholine-4-carbaldehyde 1215.6
    sulfolane 1440.88
    2,2,4-trimethylpentane 48.73
    2-methyltetrahydrofuran 1375.14
    n-hexyl acetate 684.82
    isooctane 49.25
    2-(2-butoxyethoxy)ethanol 437.71
    sec-butyl acetate 424.09
    tert-butyl acetate 724.59
    decalin 77.78
    glycerin 335.95
    diglyme 827.98
    acrylic acid 385.03
    isopropyl myristate 272.22
    n-butyric acid 636.0
    acetyl acetate 651.25
    di(2-ethylhexyl) phthalate 257.79
    ethyl propionate 466.69
    nitromethane 903.54
    1,2-diethoxyethane 424.77
    benzonitrile 777.18
    trioctyl phosphate 209.08
    1-bromopropane 645.08
    gamma-valerolactone 1999.77
    n-decanol 197.69
    triethyl phosphate 216.25
    4-methyl-2-pentanol 307.88
    propionitrile 698.57
    vinylene carbonate 1085.93
    1,1,2-trichlorotrifluoroethane 880.61
    DMS 629.44
    cumene 275.63
    2-octanol 257.43
    2-hexanone 508.21
    octyl acetate 334.95
    limonene 281.13
    1,2-dimethoxyethane 760.18
    ethyl orthosilicate 203.97
    tributyl phosphate 229.73
    diacetone alcohol 613.87
    N,N-dimethylaniline 408.03
    acrylonitrile 814.97
    aniline 724.78
    1,3-propanediol 411.66
    bromobenzene 1066.84
    dibromomethane 1082.89
    1,1,2,2-tetrachloroethane 1800.63
    2-methyl-cyclohexyl acetate 394.89
    tetrabutyl urea 275.46
    diisobutyl methanol 191.67
    2-phenylethanol 540.17
    styrene 446.44
    dioctyl adipate 328.61
    dimethyl sulfate 680.78
    ethyl butyrate 400.2
    methyl lactate 451.94
    butyl lactate 395.92
    diethyl carbonate 295.04
    propanediol butyl ether 415.5
    triethyl orthoformate 295.78
    p-tert-butyltoluene 259.64
    methyl 4-tert-butylbenzoate 551.7
    morpholine 1252.47
    tert-butylamine 449.16
    n-dodecanol 152.75
    dimethoxymethane 1021.03
    ethylene carbonate 926.86
    cyrene 449.74
    2-ethoxyethyl acetate 602.15
    2-ethylhexyl acetate 510.52
    1,2,4-trichlorobenzene 899.53
    4-methylpyridine 1412.62
    dibutyl ether 272.4
    2,6-dimethyl-4-heptanol 191.67
    DEF 722.33
    dimethyl isosorbide 735.76
    tetrachloroethylene 1000.65
    eugenol 487.58
    triacetin 556.3
    span 80 365.18
    1,4-butanediol 195.19
    1,1-dichloroethane 1384.24
    2-methyl-1-pentanol 269.35
    methyl formate 658.53
    2-methyl-1-butanol 441.75
    n-decane 54.17
    butyronitrile 682.4
    3,7-dimethyl-1-octanol 287.35
    1-chlorooctane 233.62
    1-chlorotetradecane 98.56
    n-nonane 48.12
    undecane 40.03
    tert-butylcyclohexane 70.59
    cyclooctane 55.32
    cyclopentanol 796.65
    tetrahydropyran 1243.77
    tert-amyl methyl ether 505.31
    2,5,8-trioxanonane 524.41
    1-hexene 177.8
    2-isopropoxyethanol 357.37
    2,2,2-trifluoroethanol 281.13
    methyl butyrate 582.86

    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