5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,5alpha,8alpha))-

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  • Identifiers

    CAS number
    18680-83-6

    Molecular formula
    C15H26O

    SMILES
    C[C@@H]1CC[C@@H](CC2=C1CC[C@H]2C)C(C)(C)O

  • Odor profile

    Fragrance
    Woody 75.68%
    Sweet 54.11%
    Floral 51.01%
    Balsamic 43.97%
    Spicy 42.82%
    Amber 39.26%
    Sandalwood 36.9%
    Dry 36.71%
    Clean 32.89%
    Musk 32.67%

     

    Flavor
    Sweet 52.39%
    Wood 41.94%
    Woody 38.91%
    Rose 35.78%
    Pine 34.23%
    Balsamic 33.75%
    Balsam 33.2%
    Mild 31.68%
    Dry 29.78%
    Tea 28.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.14 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 96.88 ˚C est.

  • Synonyms

    • 2-[(3r,5s,8r)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
    • 18680-83-6
    • 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]-
    • [3R,(+)]-1,2,3,4,5,6,7,8-Octahydro-alpha,alpha,3beta,8beta-tetramethyl-5beta-azulenemethanol
    • .alpha.-Guaiol
    • 2-(3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydro-5-azulenyl)-2-propanol #
    • SCHEMBL16207769
    • TWVJWDMOZJXUID-UTUOFQBUSA-N
    • 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,5alpha,8alpha))-

  • Applications

    Chemical name: 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,5alpha,8alpha))-; CAS 18680-83-6. This azulene-derived, fully saturated compound with a chiral center is commonly used as a synthetic intermediate and/or building block for complex azulene-based structures. In fragrance and cosmetics, it may serve as an odorant or fragrance intermediate for developing formulations. As a chiral building block, it is routinely evaluated for use in the preparation of refined specialty chemicals and may act as a precursor for azulene-based materials or colorants in industrial applications, subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 675.53
    methanol 617.66
    isopropanol 711.62
    water 1.56
    ethyl acetate 633.2
    n-propanol 643.64
    acetone 789.95
    n-butanol 625.34
    acetonitrile 644.83
    DMF 664.52
    toluene 644.19
    isobutanol 481.08
    1,4-dioxane 1794.56
    methyl acetate 595.37
    THF 2342.35
    2-butanone 718.79
    n-pentanol 316.52
    sec-butanol 445.03
    n-hexane 86.66
    ethylene glycol 65.98
    NMP 476.5
    cyclohexane 245.78
    DMSO 424.58
    n-butyl acetate 640.08
    n-octanol 282.12
    chloroform 2127.38
    n-propyl acetate 385.68
    acetic acid 291.97
    dichloromethane 1562.58
    cyclohexanone 971.09
    propylene glycol 141.14
    isopropyl acetate 457.23
    DMAc 517.72
    2-ethoxyethanol 343.22
    isopentanol 505.16
    n-heptane 120.81
    ethyl formate 418.63
    1,2-dichloroethane 717.87
    n-hexanol 571.9
    2-methoxyethanol 643.28
    isobutyl acetate 336.39
    tetrachloromethane 363.51
    n-pentyl acetate 406.77
    transcutol 1213.43
    n-heptanol 289.3
    ethylbenzene 293.34
    MIBK 387.14
    2-propoxyethanol 698.44
    tert-butanol 728.87
    MTBE 718.91
    2-butoxyethanol 435.25
    propionic acid 322.06
    o-xylene 331.49
    formic acid 70.77
    diethyl ether 703.43
    m-xylene 380.28
    p-xylene 418.7
    chlorobenzene 610.28
    dimethyl carbonate 189.58
    n-octane 49.89
    formamide 142.75
    cyclopentanone 1055.54
    2-pentanone 557.94
    anisole 497.17
    cyclopentyl methyl ether 675.94
    gamma-butyrolactone 934.07
    1-methoxy-2-propanol 597.96
    pyridine 1102.39
    3-pentanone 387.33
    furfural 688.36
    n-dodecane 39.68
    diethylene glycol 356.39
    diisopropyl ether 232.78
    tert-amyl alcohol 407.07
    acetylacetone 582.82
    n-hexadecane 46.41
    acetophenone 392.83
    methyl propionate 396.1
    isopentyl acetate 596.4
    trichloroethylene 1250.96
    n-nonanol 254.12
    cyclohexanol 521.45
    benzyl alcohol 352.85
    2-ethylhexanol 340.91
    isooctanol 235.52
    dipropyl ether 521.55
    1,2-dichlorobenzene 471.17
    ethyl lactate 154.31
    propylene carbonate 533.86
    n-methylformamide 317.24
    2-pentanol 352.61
    n-pentane 104.13
    1-propoxy-2-propanol 554.21
    1-methoxy-2-propyl acetate 544.19
    2-(2-methoxypropoxy) propanol 374.69
    mesitylene 236.47
    ε-caprolactone 749.19
    p-cymene 236.26
    epichlorohydrin 973.22
    1,1,1-trichloroethane 862.32
    2-aminoethanol 197.95
    morpholine-4-carbaldehyde 742.5
    sulfolane 666.23
    2,2,4-trimethylpentane 52.56
    2-methyltetrahydrofuran 1212.1
    n-hexyl acetate 528.37
    isooctane 52.23
    2-(2-butoxyethoxy)ethanol 532.92
    sec-butyl acetate 289.18
    tert-butyl acetate 468.95
    decalin 87.35
    glycerin 163.55
    diglyme 975.72
    acrylic acid 228.96
    isopropyl myristate 232.53
    n-butyric acid 585.1
    acetyl acetate 422.95
    di(2-ethylhexyl) phthalate 219.04
    ethyl propionate 323.35
    nitromethane 558.27
    1,2-diethoxyethane 641.52
    benzonitrile 578.42
    trioctyl phosphate 166.8
    1-bromopropane 642.33
    gamma-valerolactone 1162.49
    n-decanol 189.15
    triethyl phosphate 184.98
    4-methyl-2-pentanol 239.78
    propionitrile 663.61
    vinylene carbonate 560.29
    1,1,2-trichlorotrifluoroethane 470.13
    DMS 342.11
    cumene 199.11
    2-octanol 204.4
    2-hexanone 366.15
    octyl acetate 277.91
    limonene 300.32
    1,2-dimethoxyethane 821.23
    ethyl orthosilicate 187.51
    tributyl phosphate 188.89
    diacetone alcohol 391.74
    N,N-dimethylaniline 298.86
    acrylonitrile 588.26
    aniline 540.83
    1,3-propanediol 365.36
    bromobenzene 679.74
    dibromomethane 1034.8
    1,1,2,2-tetrachloroethane 958.24
    2-methyl-cyclohexyl acetate 360.93
    tetrabutyl urea 233.54
    diisobutyl methanol 218.13
    2-phenylethanol 435.9
    styrene 356.65
    dioctyl adipate 288.48
    dimethyl sulfate 219.53
    ethyl butyrate 435.62
    methyl lactate 182.21
    butyl lactate 288.13
    diethyl carbonate 282.35
    propanediol butyl ether 353.93
    triethyl orthoformate 309.83
    p-tert-butyltoluene 243.17
    methyl 4-tert-butylbenzoate 356.04
    morpholine 1582.12
    tert-butylamine 529.38
    n-dodecanol 147.18
    dimethoxymethane 622.41
    ethylene carbonate 510.77
    cyrene 303.2
    2-ethoxyethyl acetate 496.02
    2-ethylhexyl acetate 471.2
    1,2,4-trichlorobenzene 530.11
    4-methylpyridine 1035.93
    dibutyl ether 386.92
    2,6-dimethyl-4-heptanol 218.13
    DEF 433.52
    dimethyl isosorbide 633.28
    tetrachloroethylene 595.59
    eugenol 327.12
    triacetin 419.92
    span 80 395.31
    1,4-butanediol 111.81
    1,1-dichloroethane 899.5
    2-methyl-1-pentanol 280.27
    methyl formate 256.07
    2-methyl-1-butanol 400.41
    n-decane 71.25
    butyronitrile 720.7
    3,7-dimethyl-1-octanol 274.53
    1-chlorooctane 210.2
    1-chlorotetradecane 92.28
    n-nonane 67.45
    undecane 51.23
    tert-butylcyclohexane 77.87
    cyclooctane 79.53
    cyclopentanol 540.29
    tetrahydropyran 1683.97
    tert-amyl methyl ether 359.77
    2,5,8-trioxanonane 629.01
    1-hexene 266.31
    2-isopropoxyethanol 277.99
    2,2,2-trifluoroethanol 116.07
    methyl butyrate 416.89

    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