4H-Indeno[4,5-d]-1,3-dioxole, 3a,5,6,7,8,8b-hexahydro-2,2,6,6,7,8,8-heptamethyl-

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  • Identifiers

    CAS number
    823178-41-2

    Molecular formula
    C17H28O2

    SMILES
    CC1C(C2=C(C1(C)C)C3C(CC2)OC(O3)(C)C)(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 79.21%
    Amber 56.21%
    Musk 49.21%
    Dry 44.49%
    Cedar 43.43%
    Powdery 40.85%
    Fruity 40.28%
    Spicy 36.46%
    Vetiver 33.23%
    Tobacco 30.1%

     

    Flavor
    Woody 52.05%
    Camphor 49.65%
    Green 47.83%
    Herbal 47.79%
    Earthy 46.45%
    Earth 38.24%
    Pine 38.17%
    Minty 30.19%
    Pepper 28.61%
    Musty 27.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.26 (neutral)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 167.12 ˚C est.

  • Synonyms

    • DTXSID00889211
    • 4H-Indeno[4,5-d]-1,3-dioxole, 3a,5,6,7,8,8b-hexahydro-2,2,6,6,7,8,8-heptamethyl-
    • 4H-Indeno(4,5-d)-1,3-dioxole, 3a,5,6,7,8,8b-hexahydro-2,2,6,6,7,8,8-heptamethyl-
    • RefChem:527377
    • DTXCID701028478
    • 823178-41-2
    • SCHEMBL5706587
    • QFQQCCDAGARSEN-UHFFFAOYSA-N
    • 2,2,6,6,7,8,8-Heptamethyl-4,5,6,7,8,8b-hexahydro-2H,3aH-indeno[4,5-d][1,3]dioxole
    • 823178-41-2

  • Applications

    4H-Indeno[4,5-d]-1,3-dioxole, 3a,5,6,7,8,8b-hexahydro-2,2,6,6,7,8,8-heptamethyl- (CAS 823178-41-2) is primarily used as an intermediate in fragrance chemistry, often serving as a building block for synthesizing specialty aroma compounds and, in some cases, as a fixative in perfumery; it may also be considered for use in cosmetics/personal care formulations as a fragrance component in appropriate product types; it can be involved in household products where scent profiles rely on aroma intermediates; in industrial manufacturing it is evaluated as an intermediate for synthesis of fragrance-related materials or other specialty chemicals; in polymers/plastics it may function as a reactive precursor or additive in niche polymer formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 217.86
    methanol 237.06
    isopropanol 173.99
    water 11.13
    ethyl acetate 531.42
    n-propanol 244.55
    acetone 456.13
    n-butanol 220.56
    acetonitrile 370.42
    DMF 796.89
    toluene 802.68
    isobutanol 215.24
    1,4-dioxane 1076.6
    methyl acetate 536.93
    THF 1378.06
    2-butanone 459.17
    n-pentanol 161.64
    sec-butanol 178.24
    n-hexane 87.58
    ethylene glycol 78.57
    NMP 1107.38
    cyclohexane 256.6
    DMSO 348.38
    n-butyl acetate 450.71
    n-octanol 166.49
    chloroform 1821.78
    n-propyl acetate 340.36
    acetic acid 422.65
    dichloromethane 1238.78
    cyclohexanone 956.32
    propylene glycol 78.63
    isopropyl acetate 449.5
    DMAc 872.18
    2-ethoxyethanol 255.35
    isopentanol 202.14
    n-heptane 73.57
    ethyl formate 314.07
    1,2-dichloroethane 667.31
    n-hexanol 274.88
    2-methoxyethanol 396.35
    isobutyl acetate 326.35
    tetrachloromethane 387.55
    n-pentyl acetate 376.95
    transcutol 505.51
    n-heptanol 187.94
    ethylbenzene 337.45
    MIBK 306.35
    2-propoxyethanol 491.61
    tert-butanol 180.83
    MTBE 292.38
    2-butoxyethanol 321.45
    propionic acid 337.41
    o-xylene 411.94
    formic acid 187.93
    diethyl ether 394.08
    m-xylene 510.21
    p-xylene 489.69
    chlorobenzene 710.68
    dimethyl carbonate 406.05
    n-octane 32.61
    formamide 253.13
    cyclopentanone 1004.21
    2-pentanone 396.73
    anisole 460.37
    cyclopentyl methyl ether 716.04
    gamma-butyrolactone 1226.12
    1-methoxy-2-propanol 324.71
    pyridine 928.21
    3-pentanone 449.67
    furfural 960.84
    n-dodecane 29.97
    diethylene glycol 297.19
    diisopropyl ether 203.21
    tert-amyl alcohol 170.64
    acetylacetone 590.22
    n-hexadecane 35.88
    acetophenone 463.67
    methyl propionate 511.47
    isopentyl acetate 451.57
    trichloroethylene 1294.9
    n-nonanol 167.22
    cyclohexanol 366.36
    benzyl alcohol 309.95
    2-ethylhexanol 213.15
    isooctanol 163.23
    dipropyl ether 274.67
    1,2-dichlorobenzene 669.39
    ethyl lactate 194.42
    propylene carbonate 777.97
    n-methylformamide 373.2
    2-pentanol 168.77
    n-pentane 84.97
    1-propoxy-2-propanol 322.62
    1-methoxy-2-propyl acetate 537.2
    2-(2-methoxypropoxy) propanol 262.86
    mesitylene 318.59
    ε-caprolactone 889.65
    p-cymene 215.27
    epichlorohydrin 1014.81
    1,1,1-trichloroethane 795.69
    2-aminoethanol 149.67
    morpholine-4-carbaldehyde 1080.1
    sulfolane 926.07
    2,2,4-trimethylpentane 54.05
    2-methyltetrahydrofuran 859.45
    n-hexyl acetate 464.3
    isooctane 38.58
    2-(2-butoxyethoxy)ethanol 298.6
    sec-butyl acetate 310.43
    tert-butyl acetate 434.69
    decalin 115.59
    glycerin 143.77
    diglyme 651.4
    acrylic acid 327.77
    isopropyl myristate 203.65
    n-butyric acid 409.89
    acetyl acetate 577.95
    di(2-ethylhexyl) phthalate 197.43
    ethyl propionate 371.12
    nitromethane 734.41
    1,2-diethoxyethane 312.95
    benzonitrile 505.04
    trioctyl phosphate 148.75
    1-bromopropane 439.18
    gamma-valerolactone 1316.84
    n-decanol 120.88
    triethyl phosphate 229.34
    4-methyl-2-pentanol 133.7
    propionitrile 352.77
    vinylene carbonate 832.37
    1,1,2-trichlorotrifluoroethane 632.6
    DMS 535.09
    cumene 228.2
    2-octanol 131.34
    2-hexanone 292.07
    octyl acetate 242.11
    limonene 247.17
    1,2-dimethoxyethane 523.31
    ethyl orthosilicate 222.84
    tributyl phosphate 172.08
    diacetone alcohol 288.06
    N,N-dimethylaniline 334.7
    acrylonitrile 424.03
    aniline 483.24
    1,3-propanediol 210.01
    bromobenzene 847.67
    dibromomethane 817.57
    1,1,2,2-tetrachloroethane 1098.02
    2-methyl-cyclohexyl acetate 346.76
    tetrabutyl urea 207.32
    diisobutyl methanol 130.01
    2-phenylethanol 365.61
    styrene 385.42
    dioctyl adipate 256.21
    dimethyl sulfate 515.0
    ethyl butyrate 353.2
    methyl lactate 259.04
    butyl lactate 238.35
    diethyl carbonate 286.65
    propanediol butyl ether 201.77
    triethyl orthoformate 307.57
    p-tert-butyltoluene 212.72
    methyl 4-tert-butylbenzoate 400.19
    morpholine 916.28
    tert-butylamine 148.51
    n-dodecanol 91.45
    dimethoxymethane 616.43
    ethylene carbonate 719.22
    cyrene 333.16
    2-ethoxyethyl acetate 452.33
    2-ethylhexyl acetate 427.81
    1,2,4-trichlorobenzene 755.17
    4-methylpyridine 917.15
    dibutyl ether 205.98
    2,6-dimethyl-4-heptanol 130.01
    DEF 536.11
    dimethyl isosorbide 554.18
    tetrachloroethylene 796.36
    eugenol 335.64
    triacetin 434.29
    span 80 253.81
    1,4-butanediol 94.47
    1,1-dichloroethane 668.92
    2-methyl-1-pentanol 164.11
    methyl formate 346.3
    2-methyl-1-butanol 211.09
    n-decane 49.92
    butyronitrile 324.19
    3,7-dimethyl-1-octanol 164.66
    1-chlorooctane 169.44
    1-chlorotetradecane 77.12
    n-nonane 44.79
    undecane 37.28
    tert-butylcyclohexane 85.82
    cyclooctane 108.28
    cyclopentanol 375.9
    tetrahydropyran 923.11
    tert-amyl methyl ether 268.67
    2,5,8-trioxanonane 410.74
    1-hexene 185.7
    2-isopropoxyethanol 204.81
    2,2,2-trifluoroethanol 260.03
    methyl butyrate 411.11

    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