(3aR,4aS,7aS,8S,9aR)-Decahydro-4a,8-dimethyl-3-methyleneazuleno(6,5-b)furan-2,5-dione

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  • Identifiers

    CAS number
    19908-69-1

    Molecular formula
    C15H20O3

    SMILES
    C[C@H]1C[C@@H]2[C@H](C[C@]3([C@H]1CCC3=O)C)C(=C)C(=O)O2

    Safety labels

  • Odor profile

    Fragrance
    Woody 50.24%
    Mint 37.75%
    Spicy 35.59%
    Sweet 31.91%
    Camphoreous 30.23%
    Tobacco 30.05%
    Herbal 28.52%
    Odorless 26.1%
    Nutty 26.01%
    Phenolic 24.68%

     

    Flavor
    Bitter 85.14%
    Minty 24.24%
    Cedarleaf 20.95%
    Lovage 20.91%
    Fenugreek 20.15%
    Basil 19.95%
    Ripe apricot 19.72%
    Red fruit 19.53%
    Leaves 19.49%
    Seedy 18.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.58 (neutral)

    Molecular weight
    248.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    483°C

    Flash point

    • 158.92 ˚C est.

  • Synonyms

    • Confertin
    • 19908-69-1
    • CHEBI:3856
    • (3aR,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
    • (3aR,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno(6,7-b)furan-2,8-dione
    • RefChem:905954
    • (3aR,4aS,7aS,8S,9aR)-Decahydro-4a,8-dimethyl-3-methyleneazuleno(6,5-b)furan-2,5-dione
    • 8-epiconfertin
    • (3ar,4as,7as,8s,9ar)-4a,8-dimethyl-3-methylidenedecahydroazuleno[6,5-b]furan-2,5-dione
    • AC1Q69TS
    • (+)-confertin
    • CHEMBL1911140
    • SCHEMBL30139341
    • CHEBI:69342
    • DTXSID40941786
    • Azuleno(6,5-b)furan-2,5-dione, decahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4abeta,7aalpha,8beta,9aalpha))-
    • C09378
    • Q27068158
    • 4a,8-Dimethyl-3-methylidenedecahydroazuleno[6,5-b]furan-2,5-dione
    • (3aR-(3aalpha,4abeta,7aalpha,8beta,9aalpha))-4a,8-dimethyl-3-methylene-decahydroazuleno(6,5-b)furan-2,5-dione
    • 19908-69-1

  • Applications

    For the compound (3aR,4aS,7aS,8S,9aR)-Decahydro-4a,8-dimethyl-3-methyleneazuleno(6,5-b)furan-2,5-dione (CAS 19908-69-1), practical applications are mainly as an organic synthesis intermediate for pharmaceuticals and agrochemicals; as a precursor for dyes and pigments used in coatings and inks; as a building block in specialty polymers and plastics; and in research and development of organic electronic and photonic materials, including as a framework for small-molecule semiconductors.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 171.53
    methanol 384.63
    isopropanol 239.55
    water 3.52
    ethyl acetate 348.04
    n-propanol 177.57
    acetone 556.52
    n-butanol 188.97
    acetonitrile 283.37
    DMF 912.75
    toluene 399.29
    isobutanol 153.51
    1,4-dioxane 815.04
    methyl acetate 391.83
    THF 1134.42
    2-butanone 456.98
    n-pentanol 78.65
    sec-butanol 119.84
    n-hexane 1.14
    ethylene glycol 66.12
    NMP 520.92
    cyclohexane 8.27
    DMSO 522.8
    n-butyl acetate 196.52
    n-octanol 36.43
    chloroform 1457.4
    n-propyl acetate 194.44
    acetic acid 340.84
    dichloromethane 1165.78
    cyclohexanone 658.83
    propylene glycol 61.77
    isopropyl acetate 277.71
    DMAc 482.36
    2-ethoxyethanol 230.03
    isopentanol 204.97
    n-heptane 1.54
    ethyl formate 298.74
    1,2-dichloroethane 561.13
    n-hexanol 97.8
    2-methoxyethanol 481.02
    isobutyl acetate 137.31
    tetrachloromethane 122.37
    n-pentyl acetate 124.91
    transcutol 772.66
    n-heptanol 53.02
    ethylbenzene 106.55
    MIBK 232.4
    2-propoxyethanol 309.43
    tert-butanol 257.23
    MTBE 123.4
    2-butoxyethanol 169.39
    propionic acid 218.32
    o-xylene 175.23
    formic acid 226.74
    diethyl ether 120.08
    m-xylene 224.92
    p-xylene 162.15
    chlorobenzene 519.84
    dimethyl carbonate 237.28
    n-octane 1.1
    formamide 427.44
    cyclopentanone 913.0
    2-pentanone 339.6
    anisole 278.22
    cyclopentyl methyl ether 260.84
    gamma-butyrolactone 1011.38
    1-methoxy-2-propanol 347.79
    pyridine 875.1
    3-pentanone 225.4
    furfural 915.04
    n-dodecane 1.75
    diethylene glycol 299.66
    diisopropyl ether 47.11
    tert-amyl alcohol 115.52
    acetylacetone 548.21
    n-hexadecane 2.17
    acetophenone 295.94
    methyl propionate 271.18
    isopentyl acetate 203.66
    trichloroethylene 1401.4
    n-nonanol 38.3
    cyclohexanol 175.08
    benzyl alcohol 279.2
    2-ethylhexanol 53.31
    isooctanol 49.99
    dipropyl ether 41.44
    1,2-dichlorobenzene 408.15
    ethyl lactate 108.9
    propylene carbonate 521.03
    n-methylformamide 481.36
    2-pentanol 97.4
    n-pentane 2.42
    1-propoxy-2-propanol 170.32
    1-methoxy-2-propyl acetate 284.82
    2-(2-methoxypropoxy) propanol 165.36
    mesitylene 108.44
    ε-caprolactone 490.53
    p-cymene 55.02
    epichlorohydrin 1086.07
    1,1,1-trichloroethane 474.98
    2-aminoethanol 112.48
    morpholine-4-carbaldehyde 764.47
    sulfolane 714.43
    2,2,4-trimethylpentane 3.17
    2-methyltetrahydrofuran 436.15
    n-hexyl acetate 141.5
    isooctane 3.87
    2-(2-butoxyethoxy)ethanol 221.31
    sec-butyl acetate 146.35
    tert-butyl acetate 247.41
    decalin 6.51
    glycerin 149.68
    diglyme 489.21
    acrylic acid 249.56
    isopropyl myristate 59.7
    n-butyric acid 349.32
    acetyl acetate 331.46
    di(2-ethylhexyl) phthalate 92.5
    ethyl propionate 159.32
    nitromethane 704.89
    1,2-diethoxyethane 174.52
    benzonitrile 450.73
    trioctyl phosphate 55.6
    1-bromopropane 151.41
    gamma-valerolactone 1063.49
    n-decanol 28.32
    triethyl phosphate 75.71
    4-methyl-2-pentanol 84.0
    propionitrile 243.06
    vinylene carbonate 579.12
    1,1,2-trichlorotrifluoroethane 492.47
    DMS 229.04
    cumene 66.35
    2-octanol 31.87
    2-hexanone 162.84
    octyl acetate 72.01
    limonene 54.9
    1,2-dimethoxyethane 404.78
    ethyl orthosilicate 68.83
    tributyl phosphate 69.98
    diacetone alcohol 260.8
    N,N-dimethylaniline 148.31
    acrylonitrile 421.79
    aniline 436.06
    1,3-propanediol 246.94
    bromobenzene 524.44
    dibromomethane 541.57
    1,1,2,2-tetrachloroethane 891.8
    2-methyl-cyclohexyl acetate 121.24
    tetrabutyl urea 83.07
    diisobutyl methanol 43.96
    2-phenylethanol 239.59
    styrene 147.78
    dioctyl adipate 97.8
    dimethyl sulfate 347.65
    ethyl butyrate 137.37
    methyl lactate 176.13
    butyl lactate 115.22
    diethyl carbonate 112.65
    propanediol butyl ether 138.81
    triethyl orthoformate 96.26
    p-tert-butyltoluene 52.37
    methyl 4-tert-butylbenzoate 181.86
    morpholine 683.16
    tert-butylamine 96.17
    n-dodecanol 21.31
    dimethoxymethane 513.1
    ethylene carbonate 470.46
    cyrene 216.84
    2-ethoxyethyl acetate 250.9
    2-ethylhexyl acetate 141.25
    1,2,4-trichlorobenzene 454.51
    4-methylpyridine 861.06
    dibutyl ether 38.69
    2,6-dimethyl-4-heptanol 43.96
    DEF 264.71
    dimethyl isosorbide 327.73
    tetrachloroethylene 557.72
    eugenol 195.23
    triacetin 195.58
    span 80 126.73
    1,4-butanediol 74.2
    1,1-dichloroethane 563.24
    2-methyl-1-pentanol 88.66
    methyl formate 451.84
    2-methyl-1-butanol 127.57
    n-decane 2.57
    butyronitrile 231.37
    3,7-dimethyl-1-octanol 51.15
    1-chlorooctane 19.79
    1-chlorotetradecane 8.88
    n-nonane 1.77
    undecane 2.07
    tert-butylcyclohexane 5.2
    cyclooctane 2.87
    cyclopentanol 225.31
    tetrahydropyran 445.25
    tert-amyl methyl ether 73.78
    2,5,8-trioxanonane 281.34
    1-hexene 10.36
    2-isopropoxyethanol 163.98
    2,2,2-trifluoroethanol 214.01
    methyl butyrate 217.07

    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