4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin

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  • Identifiers

    CAS number
    18096-62-3

    Molecular formula
    C11H12O2

    SMILES
    C1C2COCOC2C3=CC=CC=C31

  • Odor profile

    Fragrance
    Animal 50.92%
    Floral 47.66%
    Earthy 46.52%
    Sweet 39.43%
    Aromatic 34.21%
    Anisic 30.99%
    Rose 30.25%
    Green 27.09%
    Geranium 26.24%
    Phenolic 24.88%

     

    Flavor
    Bitter 68.28%
    Sweet 48.64%
    Floral 34.28%
    Animal 31.81%
    Naphthalic 24.86%
    Earthy 24.83%
    Woody 22.83%
    Alkaline 22.4%
    Cereal 21.36%
    Naphthelene 20.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.61 (weak acid)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    289°C

    Flash point

    • 127.47 ˚C est.

  • Synonyms

    • 18096-62-3
    • 4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
    • INDOLAROME
    • 4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin
    • Dihydroindenyl-2,4-dioxane
    • 4,5-Indeno-1,3-dioxan
    • EINECS 241-997-4
    • 4,4a,5,9b-tetrahydroindeno[1,2-d]-1,3-dioxin
    • DTXSID5051810
    • 4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxine
    • Indeno[1,2-d]-1,3-dioxin, 4,4a,5,9b-tetrahydro-
    • Indeno(1,2-d)-1,3-dioxin, 4,4a,5,9b-tetrahydro-
    • 2H,4H,4aH,5H,9bH-indeno[1,2-d][1,3]dioxine
    • SCHEMBL273238
    • DTXCID6030366
    • CZSXBBWOROMVEW-UHFFFAOYSA-N
    • STK008235
    • AKOS005375905
    • CS-0324128
    • EU-0017677
    • NS00013208
    • SR-01000512269
    • SR-01000512269-1

  • Applications

    4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin (CAS 18096-62-3) is primarily used as a synthetic building block in organic chemistry. In industry, it is commonly evaluated as an intermediate for pharmaceutical synthesis, providing a compact fused-ring framework for elaboration into more complex bioactive molecules. It is also employed as a precursor in the production of specialty polymers and functional materials, where the rigid fused-ring core can impart stability and conjugation. In coatings and inks, it can serve as a reactive intermediate that enables further derivatization or cross-linking. Additionally, the compound is explored as a constituent in research on organic electronic or optoelectronic materials, leveraging its conjugated structure for potential device applications. Its use is subject to formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.81
    methanol 52.03
    isopropanol 30.78
    water 2.6
    ethyl acetate 82.01
    n-propanol 39.2
    acetone 95.84
    n-butanol 39.84
    acetonitrile 86.61
    DMF 146.12
    toluene 80.49
    isobutanol 32.48
    1,4-dioxane 165.03
    methyl acetate 80.4
    THF 161.04
    2-butanone 77.88
    n-pentanol 36.61
    sec-butanol 25.18
    n-hexane 3.47
    ethylene glycol 39.21
    NMP 140.71
    cyclohexane 10.76
    DMSO 167.43
    n-butyl acetate 68.48
    n-octanol 37.19
    chloroform 401.31
    n-propyl acetate 72.18
    acetic acid 109.18
    dichloromethane 496.05
    cyclohexanone 137.27
    propylene glycol 20.85
    isopropyl acetate 53.85
    DMAc 121.61
    2-ethoxyethanol 87.96
    isopentanol 39.94
    n-heptane 10.48
    ethyl formate 96.81
    1,2-dichloroethane 223.48
    n-hexanol 52.16
    2-methoxyethanol 100.71
    isobutyl acetate 56.9
    tetrachloromethane 55.13
    n-pentyl acetate 53.37
    transcutol 227.02
    n-heptanol 39.85
    ethylbenzene 44.87
    MIBK 52.6
    2-propoxyethanol 101.87
    tert-butanol 38.86
    MTBE 31.4
    2-butoxyethanol 76.7
    propionic acid 65.04
    o-xylene 57.11
    formic acid 47.83
    diethyl ether 47.68
    m-xylene 60.61
    p-xylene 55.41
    chlorobenzene 125.09
    dimethyl carbonate 60.29
    n-octane 6.52
    formamide 71.67
    cyclopentanone 160.54
    2-pentanone 64.65
    anisole 82.84
    cyclopentyl methyl ether 73.78
    gamma-butyrolactone 198.75
    1-methoxy-2-propanol 66.45
    pyridine 180.86
    3-pentanone 60.85
    furfural 214.1
    n-dodecane 7.66
    diethylene glycol 104.3
    diisopropyl ether 20.44
    tert-amyl alcohol 27.76
    acetylacetone 98.67
    n-hexadecane 8.7
    acetophenone 95.32
    methyl propionate 72.42
    isopentyl acetate 62.92
    trichloroethylene 403.5
    n-nonanol 37.53
    cyclohexanol 44.29
    benzyl alcohol 79.2
    2-ethylhexanol 43.45
    isooctanol 36.64
    dipropyl ether 51.63
    1,2-dichlorobenzene 124.35
    ethyl lactate 53.37
    propylene carbonate 132.36
    n-methylformamide 86.29
    2-pentanol 24.32
    n-pentane 5.09
    1-propoxy-2-propanol 67.77
    1-methoxy-2-propyl acetate 78.39
    2-(2-methoxypropoxy) propanol 83.89
    mesitylene 41.75
    ε-caprolactone 120.4
    p-cymene 42.38
    epichlorohydrin 248.5
    1,1,1-trichloroethane 145.68
    2-aminoethanol 38.85
    morpholine-4-carbaldehyde 186.17
    sulfolane 202.21
    2,2,4-trimethylpentane 4.74
    2-methyltetrahydrofuran 95.12
    n-hexyl acetate 65.44
    isooctane 5.11
    2-(2-butoxyethoxy)ethanol 104.29
    sec-butyl acetate 48.36
    tert-butyl acetate 53.8
    decalin 10.2
    glycerin 51.24
    diglyme 198.76
    acrylic acid 80.48
    isopropyl myristate 40.23
    n-butyric acid 86.53
    acetyl acetate 72.29
    di(2-ethylhexyl) phthalate 46.37
    ethyl propionate 62.67
    nitromethane 157.16
    1,2-diethoxyethane 82.75
    benzonitrile 115.5
    trioctyl phosphate 35.11
    1-bromopropane 82.93
    gamma-valerolactone 188.44
    n-decanol 31.93
    triethyl phosphate 46.65
    4-methyl-2-pentanol 24.73
    propionitrile 76.13
    vinylene carbonate 150.0
    1,1,2-trichlorotrifluoroethane 144.97
    DMS 68.14
    cumene 38.68
    2-octanol 26.1
    2-hexanone 61.27
    octyl acetate 46.78
    limonene 45.64
    1,2-dimethoxyethane 139.1
    ethyl orthosilicate 41.21
    tributyl phosphate 37.38
    diacetone alcohol 61.81
    N,N-dimethylaniline 65.98
    acrylonitrile 112.92
    aniline 81.81
    1,3-propanediol 54.41
    bromobenzene 140.77
    dibromomethane 265.56
    1,1,2,2-tetrachloroethane 243.64
    2-methyl-cyclohexyl acetate 64.98
    tetrabutyl urea 53.27
    diisobutyl methanol 31.61
    2-phenylethanol 78.81
    styrene 52.4
    dioctyl adipate 59.46
    dimethyl sulfate 87.35
    ethyl butyrate 71.38
    methyl lactate 50.68
    butyl lactate 50.57
    diethyl carbonate 60.01
    propanediol butyl ether 60.46
    triethyl orthoformate 53.55
    p-tert-butyltoluene 37.75
    methyl 4-tert-butylbenzoate 84.71
    morpholine 128.98
    tert-butylamine 26.31
    n-dodecanol 28.09
    dimethoxymethane 108.1
    ethylene carbonate 118.11
    cyrene 97.15
    2-ethoxyethyl acetate 78.7
    2-ethylhexyl acetate 52.86
    1,2,4-trichlorobenzene 135.96
    4-methylpyridine 134.08
    dibutyl ether 42.34
    2,6-dimethyl-4-heptanol 31.61
    DEF 88.62
    dimethyl isosorbide 129.5
    tetrachloroethylene 175.27
    eugenol 87.76
    triacetin 88.61
    span 80 66.43
    1,4-butanediol 36.59
    1,1-dichloroethane 155.4
    2-methyl-1-pentanol 38.52
    methyl formate 89.84
    2-methyl-1-butanol 33.5
    n-decane 10.53
    butyronitrile 71.69
    3,7-dimethyl-1-octanol 39.56
    1-chlorooctane 34.44
    1-chlorotetradecane 19.7
    n-nonane 9.17
    undecane 8.78
    tert-butylcyclohexane 8.87
    cyclooctane 6.99
    cyclopentanol 48.33
    tetrahydropyran 92.36
    tert-amyl methyl ether 28.1
    2,5,8-trioxanonane 147.4
    1-hexene 15.68
    2-isopropoxyethanol 67.24
    2,2,2-trifluoroethanol 63.43
    methyl butyrate 78.24

    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