1,6,7,8-Tetrahydro-1,4,6,6,8,8-hexamethyl-as-indacen-3(2H)-one

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  • Identifiers

    CAS number
    68298-33-9

    Molecular formula
    C18H24O

    SMILES
    CC1CC(=O)C2=C1C3=C(C=C2C)C(CC3(C)C)(C)C

  • Odor profile

    Fragrance
    Musk 76.25%
    Sweet 62.45%
    Woody 59.98%
    Powdery 54.34%
    Amber 53.26%
    Dry 50.09%
    Fruity 34.83%
    Tobacco 33.41%
    Animal 31.01%
    Cedar 28.03%

     

    Flavor
    Bitter 49.66%
    Woody 44.67%
    Camphor 38.93%
    Phenolic 23.82%
    Ripe apricot 21.94%
    Red fruit 21.81%
    Parsley 20.84%
    Eugenol 20.79%
    Cedarleaf 20.75%
    Flat 20.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    6.35 (neutral)

    Molecular weight
    256.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    395°C

    Flash point

    • 157.95 ˚C est.

  • Synonyms

    • 68298-33-9
    • 1,6,7,8-Tetrahydro-1,4,6,6,8,8-hexamethyl-as-indacen-3(2H)-one
    • UNII-71PUW8TX5Q
    • EINECS 269-556-1
    • 71PUW8TX5Q
    • as-Indacen-3(2H)-one, 1,6,7,8-tetrahydro-1,4,6,6,8,8-hexamethyl-
    • 1,4,6,6,8,8-hexamethyl-2,7-dihydro-1H-as-indacen-3-one
    • DTXSID10867565
    • 1,4,6,6,8,8-Hexamethyl-as-hydrindacene-3-one
    • 1,6,7,8-TETRAHYDRO-1,4,6,6,8,8-HEXAMETHYL-AS-INDACEN-3(2H)-ONE, (+/-)-
    • SCHEMBL7627765
    • DTXCID90815741
    • BISFKEVJRXXYRM-UHFFFAOYSA-N
    • NS00013207
    • Q27265982
    • 269-556-1

  • Applications

    1,6,7,8-Tetrahydro-1,4,6,6,8,8-hexamethyl-as-indacen-3(2H)-one is mainly used as an intermediate in the synthesis of polycyclic aromatic ketones and related indacenone derivatives; it serves as a building block for pigments and dyes used in coatings and inks; it is employed in the preparation of specialty polymers and high-performance coatings; it is explored as a precursor for organic electronics materials and small-molecule semiconductors; and it functions as a synthetic building block in pharmaceutical research as part of broader intermediate sequences, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 153.72
    methanol 113.89
    isopropanol 181.42
    water 0.38
    ethyl acetate 704.53
    n-propanol 212.06
    acetone 781.46
    n-butanol 228.23
    acetonitrile 443.42
    DMF 1197.91
    toluene 1331.04
    isobutanol 209.39
    1,4-dioxane 1319.81
    methyl acetate 722.29
    THF 2465.41
    2-butanone 819.08
    n-pentanol 184.54
    sec-butanol 212.53
    n-hexane 96.24
    ethylene glycol 45.67
    NMP 1551.38
    cyclohexane 207.06
    DMSO 408.58
    n-butyl acetate 632.24
    n-octanol 223.86
    chloroform 2100.85
    n-propyl acetate 530.22
    acetic acid 189.27
    dichloromethane 1842.42
    cyclohexanone 1675.6
    propylene glycol 72.98
    isopropyl acetate 553.66
    DMAc 907.53
    2-ethoxyethanol 225.63
    isopentanol 225.36
    n-heptane 80.58
    ethyl formate 442.07
    1,2-dichloroethane 1108.29
    n-hexanol 347.03
    2-methoxyethanol 359.2
    isobutyl acetate 450.25
    tetrachloromethane 372.26
    n-pentyl acetate 578.57
    transcutol 395.24
    n-heptanol 220.1
    ethylbenzene 587.5
    MIBK 511.84
    2-propoxyethanol 496.99
    tert-butanol 222.51
    MTBE 438.31
    2-butoxyethanol 318.97
    propionic acid 306.73
    o-xylene 659.75
    formic acid 47.02
    diethyl ether 497.42
    m-xylene 877.46
    p-xylene 745.12
    chlorobenzene 1225.16
    dimethyl carbonate 507.38
    n-octane 51.08
    formamide 101.57
    cyclopentanone 2202.86
    2-pentanone 746.16
    anisole 744.38
    cyclopentyl methyl ether 1213.77
    gamma-butyrolactone 2095.87
    1-methoxy-2-propanol 355.84
    pyridine 1503.15
    3-pentanone 651.49
    furfural 1404.76
    n-dodecane 39.77
    diethylene glycol 251.05
    diisopropyl ether 248.49
    tert-amyl alcohol 228.77
    acetylacetone 927.86
    n-hexadecane 49.38
    acetophenone 753.57
    methyl propionate 714.62
    isopentyl acetate 607.41
    trichloroethylene 2463.8
    n-nonanol 198.12
    cyclohexanol 444.11
    benzyl alcohol 492.49
    2-ethylhexanol 266.8
    isooctanol 193.63
    dipropyl ether 328.57
    1,2-dichlorobenzene 1092.68
    ethyl lactate 241.73
    propylene carbonate 1116.78
    n-methylformamide 449.67
    2-pentanol 199.34
    n-pentane 90.84
    1-propoxy-2-propanol 357.58
    1-methoxy-2-propyl acetate 616.31
    2-(2-methoxypropoxy) propanol 261.8
    mesitylene 509.55
    ε-caprolactone 1308.25
    p-cymene 323.2
    epichlorohydrin 1994.53
    1,1,1-trichloroethane 1197.64
    2-aminoethanol 87.53
    morpholine-4-carbaldehyde 1360.87
    sulfolane 1510.63
    2,2,4-trimethylpentane 58.63
    2-methyltetrahydrofuran 1427.3
    n-hexyl acetate 751.38
    isooctane 51.41
    2-(2-butoxyethoxy)ethanol 290.8
    sec-butyl acetate 409.29
    tert-butyl acetate 585.95
    decalin 129.71
    glycerin 96.95
    diglyme 643.41
    acrylic acid 298.07
    isopropyl myristate 257.44
    n-butyric acid 400.98
    acetyl acetate 555.18
    di(2-ethylhexyl) phthalate 273.63
    ethyl propionate 526.36
    nitromethane 635.22
    1,2-diethoxyethane 362.22
    benzonitrile 873.16
    trioctyl phosphate 189.57
    1-bromopropane 655.14
    gamma-valerolactone 2155.14
    n-decanol 142.7
    triethyl phosphate 243.36
    4-methyl-2-pentanol 157.06
    propionitrile 507.24
    vinylene carbonate 1080.54
    1,1,2-trichlorotrifluoroethane 699.61
    DMS 792.1
    cumene 355.77
    2-octanol 208.59
    2-hexanone 536.74
    octyl acetate 334.98
    limonene 378.9
    1,2-dimethoxyethane 572.12
    ethyl orthosilicate 219.05
    tributyl phosphate 209.7
    diacetone alcohol 430.78
    N,N-dimethylaniline 500.64
    acrylonitrile 665.55
    aniline 717.75
    1,3-propanediol 145.17
    bromobenzene 1525.71
    dibromomethane 1188.43
    1,1,2,2-tetrachloroethane 1532.37
    2-methyl-cyclohexyl acetate 469.88
    tetrabutyl urea 278.54
    diisobutyl methanol 149.95
    2-phenylethanol 623.34
    styrene 650.4
    dioctyl adipate 334.76
    dimethyl sulfate 667.89
    ethyl butyrate 455.64
    methyl lactate 301.53
    butyl lactate 336.61
    diethyl carbonate 320.93
    propanediol butyl ether 262.86
    triethyl orthoformate 308.1
    p-tert-butyltoluene 315.45
    methyl 4-tert-butylbenzoate 542.64
    morpholine 1151.45
    tert-butylamine 160.05
    n-dodecanol 106.98
    dimethoxymethane 856.63
    ethylene carbonate 869.72
    cyrene 469.06
    2-ethoxyethyl acetate 660.12
    2-ethylhexyl acetate 564.33
    1,2,4-trichlorobenzene 1143.66
    4-methylpyridine 1703.54
    dibutyl ether 259.94
    2,6-dimethyl-4-heptanol 149.95
    DEF 775.34
    dimethyl isosorbide 663.5
    tetrachloroethylene 986.19
    eugenol 461.09
    triacetin 561.65
    span 80 289.39
    1,4-butanediol 86.02
    1,1-dichloroethane 1084.45
    2-methyl-1-pentanol 198.33
    methyl formate 494.55
    2-methyl-1-butanol 230.31
    n-decane 69.4
    butyronitrile 487.34
    3,7-dimethyl-1-octanol 200.82
    1-chlorooctane 252.83
    1-chlorotetradecane 107.64
    n-nonane 67.75
    undecane 50.71
    tert-butylcyclohexane 107.36
    cyclooctane 107.95
    cyclopentanol 492.66
    tetrahydropyran 1322.42
    tert-amyl methyl ether 382.11
    2,5,8-trioxanonane 368.15
    1-hexene 256.92
    2-isopropoxyethanol 225.93
    2,2,2-trifluoroethanol 137.16
    methyl butyrate 620.48

    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