Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, monoepoxide

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  • Identifiers

    CAS number
    68071-23-8

    Molecular formula
    C15H24O

    SMILES
    CC1CCC2=C1CC3(CCC2C)C(O3)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 77.77%
    Spicy 47.97%
    Amber 46.48%
    Dry 45.02%
    Sweet 42.76%
    Cedar 37.06%
    Musk 36.81%
    Earthy 35.08%
    Balsamic 33.44%
    Powdery 33.07%

     

    Flavor
    Woody 55.03%
    Sweet 51.87%
    Earthy 43.78%
    Wood 40.91%
    Spicy 39.98%
    Dry 39.45%
    Camphor 38.33%
    Pine 36.25%
    Spice 34.83%
    Herbal 34.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.64 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    286°C

    Flash point

    • 64.32 ˚C est.

  • Synonyms

    • Epoxy guaiene
    • 68071-23-8
    • EINECS 268-340-4
    • 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)azulene monoepoxide
    • Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, monoepoxide
    • RefChem:116162
    • Epoxyguaiene
    • 3,3',3',8-tetramethyl-2,3,4,6,7,8-hexahydro-1h-spiro[azulene-5,2'-oxirane]
    • 1,2,3,4,5,6,7,8-Octahydro-7-isopropylidene-1,4-dimethyl-,-epoxyazulene
    • SCHEMBL14764025
    • CHEBI:195969
    • UNUMEFUKAQEVMS-UHFFFAOYSA-N
    • DTXSID801021532
    • 1,3',3',4-tetramethylspiro[2,3,4,5,6,8-hexahydro-1H-azulene-7,2'-oxirane]
    • NS00012357
    • 68071-23-8

  • Applications

    Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, monoepoxide (CAS 68071-23-8) is typically used as an organic synthesis intermediate, enabling the synthesis of complex molecules for pharmaceuticals; it can serve as a precursor for azulene-based pigments or dyes for coatings and inks; the epoxide functionality allows it to act as a reactive monomer or crosslinkable building block for epoxy resins, adhesives, and coating formulations; it is also explored as a building block for specialty polymers and materials for organic electronics or optoelectronic applications; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 163.14
    methanol 131.4
    isopropanol 156.24
    water 1.05
    ethyl acetate 210.97
    n-propanol 174.44
    acetone 201.74
    n-butanol 165.42
    acetonitrile 186.96
    DMF 194.69
    toluene 334.82
    isobutanol 140.04
    1,4-dioxane 516.31
    methyl acetate 225.86
    THF 547.94
    2-butanone 255.29
    n-pentanol 127.52
    sec-butanol 144.01
    n-hexane 32.4
    ethylene glycol 36.94
    NMP 199.33
    cyclohexane 88.44
    DMSO 142.69
    n-butyl acetate 224.84
    n-octanol 112.89
    chloroform 921.92
    n-propyl acetate 165.75
    acetic acid 101.14
    dichloromethane 667.38
    cyclohexanone 355.08
    propylene glycol 64.21
    isopropyl acetate 164.53
    DMAc 249.94
    2-ethoxyethanol 169.83
    isopentanol 140.27
    n-heptane 38.61
    ethyl formate 143.66
    1,2-dichloroethane 301.93
    n-hexanol 192.19
    2-methoxyethanol 216.76
    isobutyl acetate 160.27
    tetrachloromethane 158.74
    n-pentyl acetate 170.04
    transcutol 434.42
    n-heptanol 112.28
    ethylbenzene 195.34
    MIBK 155.83
    2-propoxyethanol 275.04
    tert-butanol 152.4
    MTBE 187.02
    2-butoxyethanol 181.5
    propionic acid 125.09
    o-xylene 202.52
    formic acid 33.83
    diethyl ether 187.01
    m-xylene 206.16
    p-xylene 271.75
    chlorobenzene 306.73
    dimethyl carbonate 87.9
    n-octane 19.66
    formamide 65.21
    cyclopentanone 360.55
    2-pentanone 191.85
    anisole 292.22
    cyclopentyl methyl ether 216.13
    gamma-butyrolactone 314.85
    1-methoxy-2-propanol 195.69
    pyridine 499.8
    3-pentanone 176.12
    furfural 310.82
    n-dodecane 20.66
    diethylene glycol 173.82
    diisopropyl ether 80.64
    tert-amyl alcohol 131.61
    acetylacetone 222.08
    n-hexadecane 24.0
    acetophenone 249.12
    methyl propionate 171.67
    isopentyl acetate 239.68
    trichloroethylene 548.49
    n-nonanol 111.01
    cyclohexanol 167.33
    benzyl alcohol 218.88
    2-ethylhexanol 134.93
    isooctanol 95.68
    dipropyl ether 155.29
    1,2-dichlorobenzene 272.73
    ethyl lactate 91.35
    propylene carbonate 203.7
    n-methylformamide 106.69
    2-pentanol 109.3
    n-pentane 33.26
    1-propoxy-2-propanol 213.59
    1-methoxy-2-propyl acetate 238.12
    2-(2-methoxypropoxy) propanol 191.03
    mesitylene 130.61
    ε-caprolactone 293.44
    p-cymene 132.43
    epichlorohydrin 379.07
    1,1,1-trichloroethane 353.94
    2-aminoethanol 83.98
    morpholine-4-carbaldehyde 296.28
    sulfolane 247.91
    2,2,4-trimethylpentane 24.22
    2-methyltetrahydrofuran 361.32
    n-hexyl acetate 225.81
    isooctane 20.92
    2-(2-butoxyethoxy)ethanol 220.53
    sec-butyl acetate 147.73
    tert-butyl acetate 164.34
    decalin 50.51
    glycerin 68.31
    diglyme 390.13
    acrylic acid 102.19
    isopropyl myristate 111.71
    n-butyric acid 160.1
    acetyl acetate 172.51
    di(2-ethylhexyl) phthalate 119.38
    ethyl propionate 151.29
    nitromethane 172.52
    1,2-diethoxyethane 230.73
    benzonitrile 293.97
    trioctyl phosphate 82.03
    1-bromopropane 231.96
    gamma-valerolactone 405.14
    n-decanol 88.46
    triethyl phosphate 104.64
    4-methyl-2-pentanol 84.8
    propionitrile 217.26
    vinylene carbonate 237.17
    1,1,2-trichlorotrifluoroethane 235.35
    DMS 194.97
    cumene 133.43
    2-octanol 84.55
    2-hexanone 189.07
    octyl acetate 131.4
    limonene 142.95
    1,2-dimethoxyethane 326.47
    ethyl orthosilicate 100.21
    tributyl phosphate 92.67
    diacetone alcohol 149.44
    N,N-dimethylaniline 188.5
    acrylonitrile 223.15
    aniline 239.55
    1,3-propanediol 122.59
    bromobenzene 374.7
    dibromomethane 447.88
    1,1,2,2-tetrachloroethane 440.9
    2-methyl-cyclohexyl acetate 191.36
    tetrabutyl urea 117.45
    diisobutyl methanol 88.8
    2-phenylethanol 244.62
    styrene 224.21
    dioctyl adipate 141.18
    dimethyl sulfate 105.72
    ethyl butyrate 179.34
    methyl lactate 92.49
    butyl lactate 132.3
    diethyl carbonate 140.64
    propanediol butyl ether 148.47
    triethyl orthoformate 141.36
    p-tert-butyltoluene 126.77
    methyl 4-tert-butylbenzoate 182.76
    morpholine 461.62
    tert-butylamine 121.13
    n-dodecanol 72.02
    dimethoxymethane 208.53
    ethylene carbonate 200.24
    cyrene 168.77
    2-ethoxyethyl acetate 234.62
    2-ethylhexyl acetate 208.03
    1,2,4-trichlorobenzene 316.67
    4-methylpyridine 433.2
    dibutyl ether 134.28
    2,6-dimethyl-4-heptanol 88.8
    DEF 170.2
    dimethyl isosorbide 290.26
    tetrachloroethylene 286.52
    eugenol 176.67
    triacetin 215.8
    span 80 167.63
    1,4-butanediol 59.65
    1,1-dichloroethane 325.73
    2-methyl-1-pentanol 120.15
    methyl formate 90.01
    2-methyl-1-butanol 131.99
    n-decane 30.66
    butyronitrile 209.1
    3,7-dimethyl-1-octanol 118.66
    1-chlorooctane 92.84
    1-chlorotetradecane 48.73
    n-nonane 26.61
    undecane 24.66
    tert-butylcyclohexane 42.57
    cyclooctane 33.5
    cyclopentanol 166.32
    tetrahydropyran 441.72
    tert-amyl methyl ether 136.89
    2,5,8-trioxanonane 274.44
    1-hexene 101.39
    2-isopropoxyethanol 146.51
    2,2,2-trifluoroethanol 55.64
    methyl butyrate 184.99

    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