Azulene, 1,2,3,3a,4,7,8,8a-octahydro-3a,6-dimethyl-1-(1-methylethenyl)-, (1S,3aR,8aS)-

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  • Identifiers

    CAS number
    142878-08-8

    Molecular formula
    C15H24

    SMILES
    CC1=CC[C@@]2(CC[C@@H]([C@@H]2CC1)C(=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 75.54%
    Sweet 56.9%
    Citrus 49.65%
    Spicy 46.49%
    Terpenic 44.52%
    Herbal 41.68%
    Fresh 40.75%
    Green 39.88%
    Balsamic 36.73%
    Dry 36.16%

     

    Flavor
    Woody 52.79%
    Wood 48.49%
    Spice 33.73%
    Herb 29.1%
    Herbal 28.72%
    Dry 28.01%
    Balsamic 23.97%
    Sweet 23.25%
    Camphor 22.97%
    Fir needle 22.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    9.25 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 86.42 ˚C est.

  • Synonyms

    • DTXSID301365830
    • Azulene, 1,2,3,3a,4,7,8,8a-octahydro-3a,6-dimethyl-1-(1-methylethenyl)-, (1S,3aR,8aS)-
    • 142878-08-8
    • 142878-08-8

  • Applications

    Azulene, 1,2,3,3a,4,7,8,8a-octahydro-3a,6-dimethyl-1-(1-methylethenyl)-, (1S,3aR,8aS)- (CAS number: 142878-08-8) is a hydrogenated azulene derivative that can serve as a fragrance-related intermediate and odorant for perfumery. It may also find use in cosmetics/personal care formulations as a scent component, and in household products where a subtle terpene-like aroma is desired. In addition, it can be evaluated as a building block or intermediate in industrial manufacturing, including specialty polymers/plastics and coatings/inks, and may be explored as a synthetic intermediate for pharmaceutical or agrochemical development under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1111.53
    methanol 566.88
    isopropanol 1486.13
    water 0.41
    ethyl acetate 2483.09
    n-propanol 1356.45
    acetone 2090.58
    n-butanol 1668.69
    acetonitrile 1184.39
    DMF 1602.95
    toluene 2974.95
    isobutanol 1218.86
    1,4-dioxane 4238.03
    methyl acetate 1617.2
    THF 5968.22
    2-butanone 2172.85
    n-pentanol 806.34
    sec-butanol 1253.89
    n-hexane 848.8
    ethylene glycol 82.05
    NMP 885.55
    cyclohexane 1632.38
    DMSO 715.23
    n-butyl acetate 2542.43
    n-octanol 730.26
    chloroform 3700.79
    n-propyl acetate 1152.49
    acetic acid 363.06
    dichloromethane 2746.56
    cyclohexanone 2650.25
    propylene glycol 180.2
    isopropyl acetate 2209.96
    DMAc 1307.72
    2-ethoxyethanol 842.71
    isopentanol 1700.02
    n-heptane 702.67
    ethyl formate 826.61
    1,2-dichloroethane 2115.53
    n-hexanol 2009.28
    2-methoxyethanol 1338.04
    isobutyl acetate 1058.6
    tetrachloromethane 1025.47
    n-pentyl acetate 1173.61
    transcutol 3918.75
    n-heptanol 730.88
    ethylbenzene 1081.71
    MIBK 1803.85
    2-propoxyethanol 2000.17
    tert-butanol 2072.0
    MTBE 4059.81
    2-butoxyethanol 976.37
    propionic acid 499.82
    o-xylene 1293.22
    formic acid 64.27
    diethyl ether 4261.86
    m-xylene 1877.23
    p-xylene 1294.56
    chlorobenzene 1719.41
    dimethyl carbonate 674.68
    n-octane 240.2
    formamide 150.84
    cyclopentanone 2593.62
    2-pentanone 2264.98
    anisole 1613.53
    cyclopentyl methyl ether 2891.86
    gamma-butyrolactone 1849.66
    1-methoxy-2-propanol 1483.54
    pyridine 2627.94
    3-pentanone 1722.51
    furfural 1330.17
    n-dodecane 146.31
    diethylene glycol 723.29
    diisopropyl ether 1878.82
    tert-amyl alcohol 1434.46
    acetylacetone 1950.51
    n-hexadecane 175.21
    acetophenone 1008.46
    methyl propionate 1500.54
    isopentyl acetate 2594.06
    trichloroethylene 2895.34
    n-nonanol 674.41
    cyclohexanol 1500.64
    benzyl alcohol 724.17
    2-ethylhexanol 1300.04
    isooctanol 703.22
    dipropyl ether 2660.48
    1,2-dichlorobenzene 1351.07
    ethyl lactate 353.65
    propylene carbonate 1170.76
    n-methylformamide 581.93
    2-pentanol 1320.89
    n-pentane 955.33
    1-propoxy-2-propanol 1802.34
    1-methoxy-2-propyl acetate 2161.92
    2-(2-methoxypropoxy) propanol 947.88
    mesitylene 1272.0
    ε-caprolactone 2030.13
    p-cymene 801.32
    epichlorohydrin 2558.84
    1,1,1-trichloroethane 2442.54
    2-aminoethanol 258.11
    morpholine-4-carbaldehyde 1515.35
    sulfolane 1255.2
    2,2,4-trimethylpentane 397.22
    2-methyltetrahydrofuran 3915.21
    n-hexyl acetate 1686.21
    isooctane 474.17
    2-(2-butoxyethoxy)ethanol 1396.06
    sec-butyl acetate 1148.57
    tert-butyl acetate 2368.26
    decalin 498.5
    glycerin 234.22
    diglyme 2751.87
    acrylic acid 301.83
    isopropyl myristate 722.75
    n-butyric acid 1265.85
    acetyl acetate 1271.88
    di(2-ethylhexyl) phthalate 466.94
    ethyl propionate 1156.2
    nitromethane 769.45
    1,2-diethoxyethane 2832.41
    benzonitrile 1176.33
    trioctyl phosphate 373.19
    1-bromopropane 2396.97
    gamma-valerolactone 2498.76
    n-decanol 502.18
    triethyl phosphate 546.32
    4-methyl-2-pentanol 1088.71
    propionitrile 1685.74
    vinylene carbonate 1041.54
    1,1,2-trichlorotrifluoroethane 896.83
    DMS 1024.47
    cumene 732.54
    2-octanol 561.01
    2-hexanone 1294.88
    octyl acetate 771.38
    limonene 1158.97
    1,2-dimethoxyethane 2426.04
    ethyl orthosilicate 618.32
    tributyl phosphate 470.35
    diacetone alcohol 1333.62
    N,N-dimethylaniline 969.2
    acrylonitrile 1208.85
    aniline 1633.42
    1,3-propanediol 611.94
    bromobenzene 2106.86
    dibromomethane 2153.17
    1,1,2,2-tetrachloroethane 2421.45
    2-methyl-cyclohexyl acetate 1065.18
    tetrabutyl urea 539.65
    diisobutyl methanol 909.11
    2-phenylethanol 1193.94
    styrene 1243.83
    dioctyl adipate 728.88
    dimethyl sulfate 595.4
    ethyl butyrate 1579.71
    methyl lactate 430.87
    butyl lactate 616.85
    diethyl carbonate 909.4
    propanediol butyl ether 690.58
    triethyl orthoformate 1162.6
    p-tert-butyltoluene 873.83
    methyl 4-tert-butylbenzoate 1023.82
    morpholine 3846.79
    tert-butylamine 1889.98
    n-dodecanol 385.73
    dimethoxymethane 2138.83
    ethylene carbonate 1108.98
    cyrene 552.29
    2-ethoxyethyl acetate 1451.8
    2-ethylhexyl acetate 2013.43
    1,2,4-trichlorobenzene 1418.78
    4-methylpyridine 2857.46
    dibutyl ether 1794.68
    2,6-dimethyl-4-heptanol 909.11
    DEF 1632.99
    dimethyl isosorbide 1693.21
    tetrachloroethylene 1532.95
    eugenol 773.95
    triacetin 1027.5
    span 80 788.5
    1,4-butanediol 186.69
    1,1-dichloroethane 2462.69
    2-methyl-1-pentanol 819.68
    methyl formate 448.46
    2-methyl-1-butanol 1373.97
    n-decane 268.75
    butyronitrile 2011.2
    3,7-dimethyl-1-octanol 975.7
    1-chlorooctane 753.59
    1-chlorotetradecane 314.43
    n-nonane 278.33
    undecane 188.64
    tert-butylcyclohexane 474.52
    cyclooctane 657.68
    cyclopentanol 1190.09
    tetrahydropyran 5534.18
    tert-amyl methyl ether 2104.38
    2,5,8-trioxanonane 1594.83
    1-hexene 1581.86
    2-isopropoxyethanol 755.41
    2,2,2-trifluoroethanol 158.01
    methyl butyrate 1308.33

    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