Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethyl)-, didehydro deriv.

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  • Identifiers

    CAS number
    68907-19-7

    Molecular formula
    C15H26

    SMILES
    CC1CCC(CC2=C1CCC2C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 75.82%
    Spicy 59.95%
    Herbal 54.02%
    Sweet 44.05%
    Balsamic 42.23%
    Dry 41.11%
    Fresh 41.11%
    Green 39.63%
    Terpenic 39.02%
    Citrus 37.41%

     

    Flavor
    Woody 62.31%
    Wood 53.83%
    Spice 43.13%
    Sweet 38.5%
    Pine 35.19%
    Herb 34.96%
    Herbal 34.5%
    Dry 32.9%
    Terpene 32.25%
    Balsamic 31.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    10.05 (weak base)

    Molecular weight
    206.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point

    • 76.32 ˚C est.

  • Synonyms

    • 68907-19-7
    • EINECS 272-672-5
    • Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethyl)-, didehydro deriv.
    • RefChem:116161
    • 1,4-dimethyl-7-(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene
    • 1,2,3,4,5,6,7,8-Octahydro-7-isopropyl-1,4-dimethylazulene, didehydro derivative
    • SCHEMBL29827668
    • XURCUMFVQKJMJP-UHFFFAOYSA-N
    • NS00012214
    • 68907-19-7

  • Applications

    Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethyl)-, didehydro deriv. (CAS 68907-19-7) is encountered as a non-polar hydrocarbon with potential as an odorant and fragrance component, and may find applications in perfumery and cosmetics/personal care to contribute to aroma or serve as a fragrance building block; it can also be evaluated for use in household products such as cleaners and air fresheners where fragrance performance matters. In industrial manufacturing, the compound can act as an intermediate or precursor in the synthesis of fragrance materials and aroma compounds. Additionally, it may be explored as a precursor for specialty pigments or functional materials for coatings and plastics, with formulation considerations governed by regulation and compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 261.27
    methanol 104.71
    isopropanol 330.07
    water 0.09
    ethyl acetate 721.23
    n-propanol 341.85
    acetone 589.61
    n-butanol 426.07
    acetonitrile 410.28
    DMF 382.83
    toluene 1134.42
    isobutanol 310.75
    1,4-dioxane 1545.11
    methyl acetate 526.82
    THF 2338.96
    2-butanone 731.97
    n-pentanol 277.35
    sec-butanol 325.04
    n-hexane 287.29
    ethylene glycol 14.6
    NMP 473.26
    cyclohexane 664.11
    DMSO 280.5
    n-butyl acetate 1447.91
    n-octanol 349.7
    chloroform 1888.54
    n-propyl acetate 521.21
    acetic acid 141.61
    dichloromethane 1765.79
    cyclohexanone 1305.75
    propylene glycol 39.97
    isopropyl acetate 597.47
    DMAc 364.13
    2-ethoxyethanol 211.61
    isopentanol 417.69
    n-heptane 569.65
    ethyl formate 351.36
    1,2-dichloroethane 963.37
    n-hexanol 721.05
    2-methoxyethanol 272.06
    isobutyl acetate 479.84
    tetrachloromethane 499.54
    n-pentyl acetate 667.64
    transcutol 1065.66
    n-heptanol 349.31
    ethylbenzene 508.5
    MIBK 521.74
    2-propoxyethanol 561.13
    tert-butanol 438.42
    MTBE 854.25
    2-butoxyethanol 374.54
    propionic acid 185.76
    o-xylene 553.52
    formic acid 14.52
    diethyl ether 925.91
    m-xylene 653.59
    p-xylene 667.28
    chlorobenzene 889.81
    dimethyl carbonate 152.21
    n-octane 165.13
    formamide 34.89
    cyclopentanone 1271.71
    2-pentanone 681.94
    anisole 621.32
    cyclopentyl methyl ether 1019.02
    gamma-butyrolactone 947.63
    1-methoxy-2-propanol 302.1
    pyridine 1413.41
    3-pentanone 538.23
    furfural 649.66
    n-dodecane 102.46
    diethylene glycol 179.49
    diisopropyl ether 386.75
    tert-amyl alcohol 358.28
    acetylacetone 639.23
    n-hexadecane 122.9
    acetophenone 502.83
    methyl propionate 401.3
    isopentyl acetate 1218.32
    trichloroethylene 1518.5
    n-nonanol 325.59
    cyclohexanol 544.06
    benzyl alcohol 334.98
    2-ethylhexanol 642.39
    isooctanol 317.62
    dipropyl ether 1251.46
    1,2-dichlorobenzene 717.63
    ethyl lactate 135.57
    propylene carbonate 636.41
    n-methylformamide 137.92
    2-pentanol 327.0
    n-pentane 262.78
    1-propoxy-2-propanol 592.14
    1-methoxy-2-propyl acetate 762.88
    2-(2-methoxypropoxy) propanol 381.72
    mesitylene 447.43
    ε-caprolactone 947.74
    p-cymene 538.01
    epichlorohydrin 1037.45
    1,1,1-trichloroethane 1177.56
    2-aminoethanol 52.02
    morpholine-4-carbaldehyde 565.38
    sulfolane 705.78
    2,2,4-trimethylpentane 118.63
    2-methyltetrahydrofuran 1632.09
    n-hexyl acetate 744.32
    isooctane 123.87
    2-(2-butoxyethoxy)ethanol 498.16
    sec-butyl acetate 426.06
    tert-butyl acetate 641.49
    decalin 231.56
    glycerin 48.33
    diglyme 1014.48
    acrylic acid 117.96
    isopropyl myristate 388.49
    n-butyric acid 463.56
    acetyl acetate 471.82
    di(2-ethylhexyl) phthalate 275.26
    ethyl propionate 436.01
    nitromethane 275.61
    1,2-diethoxyethane 1034.41
    benzonitrile 659.98
    trioctyl phosphate 220.21
    1-bromopropane 1059.06
    gamma-valerolactone 1041.5
    n-decanol 245.92
    triethyl phosphate 303.68
    4-methyl-2-pentanol 246.64
    propionitrile 534.62
    vinylene carbonate 549.92
    1,1,2-trichlorotrifluoroethane 349.54
    DMS 393.13
    cumene 342.11
    2-octanol 274.04
    2-hexanone 554.03
    octyl acetate 418.46
    limonene 724.39
    1,2-dimethoxyethane 749.39
    ethyl orthosilicate 330.05
    tributyl phosphate 266.08
    diacetone alcohol 390.81
    N,N-dimethylaniline 393.25
    acrylonitrile 427.4
    aniline 571.81
    1,3-propanediol 134.08
    bromobenzene 1153.74
    dibromomethane 1392.13
    1,1,2,2-tetrachloroethane 1109.25
    2-methyl-cyclohexyl acetate 628.58
    tetrabutyl urea 326.25
    diisobutyl methanol 404.8
    2-phenylethanol 545.96
    styrene 601.01
    dioctyl adipate 435.51
    dimethyl sulfate 172.33
    ethyl butyrate 912.59
    methyl lactate 108.95
    butyl lactate 309.34
    diethyl carbonate 508.19
    propanediol butyl ether 239.78
    triethyl orthoformate 593.92
    p-tert-butyltoluene 506.03
    methyl 4-tert-butylbenzoate 465.66
    morpholine 1316.43
    tert-butylamine 402.04
    n-dodecanol 199.18
    dimethoxymethane 451.79
    ethylene carbonate 537.45
    cyrene 289.01
    2-ethoxyethyl acetate 642.63
    2-ethylhexyl acetate 1059.28
    1,2,4-trichlorobenzene 762.32
    4-methylpyridine 1305.13
    dibutyl ether 817.71
    2,6-dimethyl-4-heptanol 404.8
    DEF 536.11
    dimethyl isosorbide 772.55
    tetrachloroethylene 712.21
    eugenol 344.88
    triacetin 463.37
    span 80 386.69
    1,4-butanediol 56.38
    1,1-dichloroethane 983.59
    2-methyl-1-pentanol 300.54
    methyl formate 128.2
    2-methyl-1-butanol 361.5
    n-decane 184.29
    butyronitrile 735.41
    3,7-dimethyl-1-octanol 378.02
    1-chlorooctane 453.48
    1-chlorotetradecane 185.45
    n-nonane 196.25
    undecane 131.0
    tert-butylcyclohexane 191.47
    cyclooctane 267.71
    cyclopentanol 479.75
    tetrahydropyran 2109.8
    tert-amyl methyl ether 516.5
    2,5,8-trioxanonane 653.17
    1-hexene 608.79
    2-isopropoxyethanol 220.41
    2,2,2-trifluoroethanol 50.71
    methyl butyrate 538.29

    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