Azulene, 1,2,3,4,5,6,7,8(or 1,2,3,5,6,7,8,8a)-octahydro-1,4-dimethyl-7-(1-methylethenyl)-

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  • Identifiers

    CAS number
    73003-42-6

    Molecular formula
    C15H22

    SMILES
    C[C@H]1C=C[C@H]2[C@H]1C[C@@H](C=C[C@H]2C)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 66.43%
    Herbal 63.12%
    Spicy 58.24%
    Green 48.63%
    Fresh 48.46%
    Citrus 45.5%
    Terpenic 38.87%
    Fruity 36.18%
    Oily 33.32%
    Mint 32.41%

     

    Flavor
    Herbal 54.53%
    Woody 48.4%
    Spice 46.35%
    Herb 43.51%
    Wood 40.87%
    Mint 30.58%
    Fresh 29.52%
    Terpene 28.42%
    Citrus 25.41%
    Green 25.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.63 (weak base)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 83.94 ˚C est.

  • Synonyms

    • alpha-(delta)-Guaiene
    • Azulene, 1,2,3,4,5,6,7,8(or 1,2,3,5,6,7,8,8a)-octahydro-1,4-dimethyl-7-(1-methylethenyl)-
    • RefChem:560617
    • 73003-42-6
    • HHJRENBOSYLJGG-KHMAMNHCSA-N
    • 73003-42-6

  • Applications

    Azulene, 1,2,3,4,5,6,7,8(or 1,2,3,5,6,7,8,8a)-octahydro-1,4-dimethyl-7-(1-methylethenyl)- (CAS 73003-42-6) can serve as a fragrance component or odorant in perfumery, and is often evaluated as a synthetic intermediate to access azulene derivatives for aroma formulations. It may also be used as a component in cosmetics and personal care products as a fragrance ingredient, and as a building block in industrial manufacturing of specialty chemicals. In coatings and inks, it can act as an intermediate or precursor in formulation development; in household products, it may be added as a fragrance additive or odor cue. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 199.07
    methanol 76.05
    isopropanol 252.02
    water 0.09
    ethyl acetate 454.04
    n-propanol 235.15
    acetone 367.94
    n-butanol 306.88
    acetonitrile 204.16
    DMF 238.58
    toluene 730.45
    isobutanol 205.94
    1,4-dioxane 959.25
    methyl acetate 312.72
    THF 1584.03
    2-butanone 466.23
    n-pentanol 186.98
    sec-butanol 246.15
    n-hexane 148.64
    ethylene glycol 12.39
    NMP 245.95
    cyclohexane 346.05
    DMSO 204.75
    n-butyl acetate 710.33
    n-octanol 215.07
    chloroform 1029.31
    n-propyl acetate 271.28
    acetic acid 89.81
    dichloromethane 962.54
    cyclohexanone 649.51
    propylene glycol 34.76
    isopropyl acetate 357.1
    DMAc 265.09
    2-ethoxyethanol 158.72
    isopentanol 283.09
    n-heptane 286.74
    ethyl formate 192.04
    1,2-dichloroethane 530.06
    n-hexanol 456.83
    2-methoxyethanol 211.73
    isobutyl acetate 244.23
    tetrachloromethane 249.41
    n-pentyl acetate 322.95
    transcutol 856.91
    n-heptanol 199.86
    ethylbenzene 314.99
    MIBK 321.41
    2-propoxyethanol 389.92
    tert-butanol 331.43
    MTBE 541.72
    2-butoxyethanol 226.75
    propionic acid 105.51
    o-xylene 323.11
    formic acid 10.74
    diethyl ether 612.9
    m-xylene 439.56
    p-xylene 355.27
    chlorobenzene 470.23
    dimethyl carbonate 107.63
    n-octane 83.24
    formamide 26.9
    cyclopentanone 702.86
    2-pentanone 444.61
    anisole 388.42
    cyclopentyl methyl ether 647.57
    gamma-butyrolactone 491.9
    1-methoxy-2-propanol 243.15
    pyridine 789.38
    3-pentanone 333.4
    furfural 335.73
    n-dodecane 56.28
    diethylene glycol 142.51
    diisopropyl ether 243.68
    tert-amyl alcohol 257.68
    acetylacetone 397.27
    n-hexadecane 66.2
    acetophenone 302.98
    methyl propionate 264.9
    isopentyl acetate 597.8
    trichloroethylene 830.02
    n-nonanol 200.71
    cyclohexanol 334.2
    benzyl alcohol 209.48
    2-ethylhexanol 349.19
    isooctanol 179.28
    dipropyl ether 665.52
    1,2-dichlorobenzene 351.61
    ethyl lactate 90.3
    propylene carbonate 319.09
    n-methylformamide 79.28
    2-pentanol 235.69
    n-pentane 162.13
    1-propoxy-2-propanol 391.91
    1-methoxy-2-propyl acetate 469.72
    2-(2-methoxypropoxy) propanol 279.77
    mesitylene 285.42
    ε-caprolactone 460.4
    p-cymene 281.15
    epichlorohydrin 620.76
    1,1,1-trichloroethane 605.07
    2-aminoethanol 39.81
    morpholine-4-carbaldehyde 326.82
    sulfolane 380.49
    2,2,4-trimethylpentane 76.02
    2-methyltetrahydrofuran 1048.28
    n-hexyl acetate 414.31
    isooctane 84.94
    2-(2-butoxyethoxy)ethanol 351.0
    sec-butyl acetate 241.44
    tert-butyl acetate 384.48
    decalin 126.55
    glycerin 42.97
    diglyme 618.48
    acrylic acid 64.96
    isopropyl myristate 218.81
    n-butyric acid 272.02
    acetyl acetate 270.22
    di(2-ethylhexyl) phthalate 173.27
    ethyl propionate 248.78
    nitromethane 150.77
    1,2-diethoxyethane 653.99
    benzonitrile 331.72
    trioctyl phosphate 128.4
    1-bromopropane 599.68
    gamma-valerolactone 554.74
    n-decanol 158.52
    triethyl phosphate 162.33
    4-methyl-2-pentanol 178.03
    propionitrile 282.02
    vinylene carbonate 264.01
    1,1,2-trichlorotrifluoroethane 205.61
    DMS 234.6
    cumene 207.08
    2-octanol 156.74
    2-hexanone 308.22
    octyl acetate 240.01
    limonene 372.14
    1,2-dimethoxyethane 477.45
    ethyl orthosilicate 175.24
    tributyl phosphate 150.51
    diacetone alcohol 268.68
    N,N-dimethylaniline 257.99
    acrylonitrile 215.73
    aniline 364.06
    1,3-propanediol 102.34
    bromobenzene 608.55
    dibromomethane 773.67
    1,1,2,2-tetrachloroethane 609.73
    2-methyl-cyclohexyl acetate 329.4
    tetrabutyl urea 191.03
    diisobutyl methanol 239.98
    2-phenylethanol 329.28
    styrene 353.26
    dioctyl adipate 251.58
    dimethyl sulfate 119.39
    ethyl butyrate 442.23
    methyl lactate 82.5
    butyl lactate 165.85
    diethyl carbonate 256.02
    propanediol butyl ether 180.4
    triethyl orthoformate 300.61
    p-tert-butyltoluene 276.55
    methyl 4-tert-butylbenzoate 276.89
    morpholine 847.55
    tert-butylamine 285.42
    n-dodecanol 130.17
    dimethoxymethane 324.66
    ethylene carbonate 251.38
    cyrene 201.11
    2-ethoxyethyl acetate 374.2
    2-ethylhexyl acetate 517.98
    1,2,4-trichlorobenzene 386.59
    4-methylpyridine 709.56
    dibutyl ether 424.68
    2,6-dimethyl-4-heptanol 239.98
    DEF 309.69
    dimethyl isosorbide 521.4
    tetrachloroethylene 375.79
    eugenol 216.43
    triacetin 281.94
    span 80 261.79
    1,4-butanediol 42.33
    1,1-dichloroethane 593.93
    2-methyl-1-pentanol 195.56
    methyl formate 71.3
    2-methyl-1-butanol 239.08
    n-decane 93.48
    butyronitrile 393.26
    3,7-dimethyl-1-octanol 239.5
    1-chlorooctane 232.02
    1-chlorotetradecane 104.92
    n-nonane 98.26
    undecane 70.13
    tert-butylcyclohexane 109.75
    cyclooctane 149.09
    cyclopentanol 289.88
    tetrahydropyran 1252.44
    tert-amyl methyl ether 339.8
    2,5,8-trioxanonane 447.63
    1-hexene 344.05
    2-isopropoxyethanol 163.56
    2,2,2-trifluoroethanol 31.72
    methyl butyrate 286.5

    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