5-Ethylidene-3,8-dimethyl-4,5,6,7-tetrahydroazulene

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  • Identifiers

    CAS number
    110210-03-2

    Molecular formula
    C14H18

    SMILES
    CC=C1CCC(=C2C=CC(=C2C1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 60.51%
    Spicy 52.05%
    Fruity 51.65%
    Sweet 38.46%
    Floral 35.95%
    Herbal 32.73%
    Fresh 31.37%
    Tropical 31.02%
    Citrus 28.84%
    Balsamic 27.67%

     

    Flavor
    Woody 44.48%
    Herbal 39.17%
    Spicy 35.26%
    Wood 30.95%
    Spice 30.75%
    Sweet 29.6%
    Fresh 27.37%
    Camphor 25.36%
    Mint 24.53%
    Floral 23.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.27 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    284°C

    Flash point

    • 89.28 ˚C est.

  • Synonyms

    • 110210-03-2
    • 5-Ethylidene-3,8-dimethyl-4,5,6,7-tetrahydroazulene
    • DTXSID30763171
    • 110210-03-2

  • Applications

    5-Ethylidene-3,8-dimethyl-4,5,6,7-tetrahydroazulene (CAS 110210-03-2) is used as an intermediate in organic synthesis, providing a rigid azulene-derived framework for the preparation of pharmaceutical and agrochemical candidates. It may also serve as a precursor for fragrance and cosmetic ingredients, and is explored as a building block in specialty polymers and coatings; in materials science, the azulene-derived scaffold is investigated for optoelectronic and photonic applications, subject to formulation and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.28
    methanol 18.51
    isopropanol 48.48
    water 0.04
    ethyl acetate 168.33
    n-propanol 56.01
    acetone 158.35
    n-butanol 65.59
    acetonitrile 75.38
    DMF 239.91
    toluene 366.56
    isobutanol 56.2
    1,4-dioxane 374.24
    methyl acetate 167.74
    THF 492.36
    2-butanone 233.47
    n-pentanol 61.56
    sec-butanol 65.7
    n-hexane 66.44
    ethylene glycol 7.14
    NMP 278.15
    cyclohexane 118.04
    DMSO 109.74
    n-butyl acetate 273.36
    n-octanol 106.47
    chloroform 532.02
    n-propyl acetate 153.04
    acetic acid 32.18
    dichloromethane 512.14
    cyclohexanone 369.23
    propylene glycol 15.03
    isopropyl acetate 137.69
    DMAc 266.55
    2-ethoxyethanol 69.22
    isopentanol 71.63
    n-heptane 113.75
    ethyl formate 83.05
    1,2-dichloroethane 299.61
    n-hexanol 142.85
    2-methoxyethanol 75.44
    isobutyl acetate 142.87
    tetrachloromethane 134.65
    n-pentyl acetate 174.97
    transcutol 249.67
    n-heptanol 95.65
    ethylbenzene 247.64
    MIBK 145.94
    2-propoxyethanol 142.64
    tert-butanol 78.72
    MTBE 168.56
    2-butoxyethanol 104.99
    propionic acid 49.43
    o-xylene 239.44
    formic acid 4.28
    diethyl ether 171.73
    m-xylene 255.94
    p-xylene 299.17
    chlorobenzene 282.15
    dimethyl carbonate 82.44
    n-octane 57.65
    formamide 12.56
    cyclopentanone 413.03
    2-pentanone 180.23
    anisole 284.62
    cyclopentyl methyl ether 271.73
    gamma-butyrolactone 290.65
    1-methoxy-2-propanol 79.21
    pyridine 405.65
    3-pentanone 198.2
    furfural 229.02
    n-dodecane 43.45
    diethylene glycol 61.23
    diisopropyl ether 93.92
    tert-amyl alcohol 86.3
    acetylacetone 205.44
    n-hexadecane 51.54
    acetophenone 245.34
    methyl propionate 149.55
    isopentyl acetate 268.87
    trichloroethylene 545.62
    n-nonanol 105.9
    cyclohexanol 106.37
    benzyl alcohol 131.56
    2-ethylhexanol 149.65
    isooctanol 90.14
    dipropyl ether 245.17
    1,2-dichlorobenzene 268.41
    ethyl lactate 61.68
    propylene carbonate 184.16
    n-methylformamide 55.51
    2-pentanol 58.79
    n-pentane 47.43
    1-propoxy-2-propanol 133.72
    1-methoxy-2-propyl acetate 218.46
    2-(2-methoxypropoxy) propanol 157.21
    mesitylene 180.62
    ε-caprolactone 273.18
    p-cymene 194.55
    epichlorohydrin 343.0
    1,1,1-trichloroethane 366.46
    2-aminoethanol 16.25
    morpholine-4-carbaldehyde 270.57
    sulfolane 279.88
    2,2,4-trimethylpentane 35.56
    2-methyltetrahydrofuran 362.92
    n-hexyl acetate 239.69
    isooctane 32.99
    2-(2-butoxyethoxy)ethanol 161.6
    sec-butyl acetate 141.1
    tert-butyl acetate 170.42
    decalin 88.12
    glycerin 18.69
    diglyme 297.47
    acrylic acid 39.29
    isopropyl myristate 153.35
    n-butyric acid 78.93
    acetyl acetate 127.85
    di(2-ethylhexyl) phthalate 117.96
    ethyl propionate 159.09
    nitromethane 78.23
    1,2-diethoxyethane 245.11
    benzonitrile 200.95
    trioctyl phosphate 85.51
    1-bromopropane 261.93
    gamma-valerolactone 338.61
    n-decanol 89.45
    triethyl phosphate 124.8
    4-methyl-2-pentanol 57.46
    propionitrile 112.66
    vinylene carbonate 173.27
    1,1,2-trichlorotrifluoroethane 134.7
    DMS 199.5
    cumene 175.35
    2-octanol 86.65
    2-hexanone 174.52
    octyl acetate 165.69
    limonene 244.47
    1,2-dimethoxyethane 236.61
    ethyl orthosilicate 123.84
    tributyl phosphate 100.02
    diacetone alcohol 122.04
    N,N-dimethylaniline 224.64
    acrylonitrile 110.27
    aniline 162.48
    1,3-propanediol 29.23
    bromobenzene 383.22
    dibromomethane 365.84
    1,1,2,2-tetrachloroethane 391.99
    2-methyl-cyclohexyl acetate 220.86
    tetrabutyl urea 144.92
    diisobutyl methanol 106.38
    2-phenylethanol 185.04
    styrene 263.04
    dioctyl adipate 178.55
    dimethyl sulfate 113.08
    ethyl butyrate 214.08
    methyl lactate 48.51
    butyl lactate 92.77
    diethyl carbonate 154.7
    propanediol butyl ether 74.95
    triethyl orthoformate 157.9
    p-tert-butyltoluene 179.53
    methyl 4-tert-butylbenzoate 220.25
    morpholine 310.7
    tert-butylamine 67.46
    n-dodecanol 79.15
    dimethoxymethane 180.43
    ethylene carbonate 141.05
    cyrene 144.79
    2-ethoxyethyl acetate 200.23
    2-ethylhexyl acetate 257.73
    1,2,4-trichlorobenzene 304.17
    4-methylpyridine 379.15
    dibutyl ether 210.77
    2,6-dimethyl-4-heptanol 106.38
    DEF 198.97
    dimethyl isosorbide 308.26
    tetrachloroethylene 248.53
    eugenol 164.35
    triacetin 187.78
    span 80 130.49
    1,4-butanediol 19.33
    1,1-dichloroethane 288.13
    2-methyl-1-pentanol 76.45
    methyl formate 53.92
    2-methyl-1-butanol 70.97
    n-decane 67.51
    butyronitrile 120.36
    3,7-dimethyl-1-octanol 115.75
    1-chlorooctane 151.94
    1-chlorotetradecane 81.87
    n-nonane 68.05
    undecane 53.06
    tert-butylcyclohexane 79.77
    cyclooctane 66.07
    cyclopentanol 105.59
    tetrahydropyran 391.03
    tert-amyl methyl ether 151.65
    2,5,8-trioxanonane 248.3
    1-hexene 144.7
    2-isopropoxyethanol 76.07
    2,2,2-trifluoroethanol 16.47
    methyl butyrate 181.57

    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