1,4,4,7a-Tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one

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  • Identifiers

    CAS number
    97844-16-1

    Molecular formula
    C13H18O

    SMILES
    CC1C(=O)C=C2C1(C=CCC2(C)C)C

  • Odor profile

    Fragrance
    Fruity 90.05%
    Woody 52.99%
    Berry 48.74%
    Tobacco 35.58%
    Raspberry 34.77%
    Spicy 28.19%
    Dry 27.81%
    Black currant 26.72%
    Cedar 26.59%
    Floral 26.36%

     

    Flavor
    Bitter 43.5%
    Woody 40.74%
    Camphor 33.53%
    Herbal 31.1%
    Minty 29.25%
    Ripe apricot 22.44%
    Red fruit 22.32%
    Spicy 22.0%
    Cedarleaf 21.62%
    Basil 21.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.83 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 126.16 ˚C est.

    Solubility expt.

    • Slightly soluble
    • Soluble (in ethanol)

  • Synonyms

    • CHEBI:168238
    • DTXSID401019719
    • 97844-16-1
    • 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one
    • 1,4,4,7a-tetramethyl-1,5-dihydroinden-2-one
    • 1,4,4,7a-Tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one
    • 2,2,6,7-tetramethylbicyclo(4.3.0)nona-1(9),4-dien-8-one
    • SCHEMBL18339273
    • FEMA 4522
    • DTXCID701477633
    • 2,2,6,7-tetramethyl bicyclo(4.3.0)nona-4,9(1)-dien-8-one
    • 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
    • 1,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-2H-inden-2-one, 9CI

  • Applications

    1,4,4,7a-Tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one (CAS 97844-16-1) is primarily used as a fragrance intermediate and odorant in perfumery and cosmetics, contributing characteristic notes or serving as a scent fixative in formulations. It may also be employed as a synthetic building block in pharmaceutical and fine-chemical manufacturing and as a chiral precursor for specialty polymers or material synthesis. In household cleaning products, it can function as a fragrance component aligned with regulatory limits, subject to formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 163.25
    methanol 217.63
    isopropanol 147.76
    water 2.58
    ethyl acetate 278.44
    n-propanol 164.34
    acetone 310.44
    n-butanol 147.87
    acetonitrile 283.59
    DMF 542.02
    toluene 340.77
    isobutanol 127.66
    1,4-dioxane 603.91
    methyl acetate 280.51
    THF 838.96
    2-butanone 298.69
    n-pentanol 92.66
    sec-butanol 120.94
    n-hexane 33.36
    ethylene glycol 58.84
    NMP 368.95
    cyclohexane 57.0
    DMSO 236.61
    n-butyl acetate 171.27
    n-octanol 99.07
    chloroform 707.0
    n-propyl acetate 137.71
    acetic acid 102.15
    dichloromethane 579.36
    cyclohexanone 401.62
    propylene glycol 61.53
    isopropyl acetate 190.53
    DMAc 304.67
    2-ethoxyethanol 150.19
    isopentanol 129.28
    n-heptane 27.31
    ethyl formate 160.18
    1,2-dichloroethane 391.13
    n-hexanol 188.39
    2-methoxyethanol 298.57
    isobutyl acetate 108.62
    tetrachloromethane 153.71
    n-pentyl acetate 143.38
    transcutol 319.88
    n-heptanol 107.6
    ethylbenzene 159.05
    MIBK 178.13
    2-propoxyethanol 320.33
    tert-butanol 161.32
    MTBE 186.52
    2-butoxyethanol 182.89
    propionic acid 121.4
    o-xylene 186.68
    formic acid 56.4
    diethyl ether 250.57
    m-xylene 246.3
    p-xylene 188.35
    chlorobenzene 292.24
    dimethyl carbonate 163.13
    n-octane 16.51
    formamide 99.31
    cyclopentanone 541.0
    2-pentanone 264.52
    anisole 253.77
    cyclopentyl methyl ether 370.48
    gamma-butyrolactone 530.87
    1-methoxy-2-propanol 256.97
    pyridine 412.12
    3-pentanone 225.26
    furfural 372.29
    n-dodecane 13.24
    diethylene glycol 229.23
    diisopropyl ether 104.22
    tert-amyl alcohol 125.22
    acetylacetone 280.26
    n-hexadecane 15.67
    acetophenone 193.52
    methyl propionate 248.63
    isopentyl acetate 163.49
    trichloroethylene 615.5
    n-nonanol 90.28
    cyclohexanol 168.18
    benzyl alcohol 159.33
    2-ethylhexanol 107.77
    isooctanol 88.11
    dipropyl ether 128.15
    1,2-dichlorobenzene 252.73
    ethyl lactate 88.37
    propylene carbonate 244.48
    n-methylformamide 249.26
    2-pentanol 114.51
    n-pentane 37.97
    1-propoxy-2-propanol 193.64
    1-methoxy-2-propyl acetate 221.76
    2-(2-methoxypropoxy) propanol 142.61
    mesitylene 150.34
    ε-caprolactone 307.8
    p-cymene 88.05
    epichlorohydrin 577.92
    1,1,1-trichloroethane 368.72
    2-aminoethanol 95.34
    morpholine-4-carbaldehyde 434.19
    sulfolane 390.98
    2,2,4-trimethylpentane 19.06
    2-methyltetrahydrofuran 429.29
    n-hexyl acetate 193.64
    isooctane 19.56
    2-(2-butoxyethoxy)ethanol 185.2
    sec-butyl acetate 116.3
    tert-butyl acetate 192.23
    decalin 37.17
    glycerin 93.54
    diglyme 344.5
    acrylic acid 111.09
    isopropyl myristate 84.98
    n-butyric acid 162.37
    acetyl acetate 177.07
    di(2-ethylhexyl) phthalate 81.87
    ethyl propionate 155.4
    nitromethane 279.7
    1,2-diethoxyethane 164.02
    benzonitrile 233.52
    trioctyl phosphate 63.64
    1-bromopropane 256.59
    gamma-valerolactone 565.7
    n-decanol 68.39
    triethyl phosphate 76.86
    4-methyl-2-pentanol 86.04
    propionitrile 261.01
    vinylene carbonate 245.11
    1,1,2-trichlorotrifluoroethane 243.67
    DMS 210.14
    cumene 106.85
    2-octanol 80.19
    2-hexanone 150.37
    octyl acetate 100.22
    limonene 101.74
    1,2-dimethoxyethane 284.01
    ethyl orthosilicate 77.26
    tributyl phosphate 70.24
    diacetone alcohol 185.62
    N,N-dimethylaniline 165.75
    acrylonitrile 305.57
    aniline 240.92
    1,3-propanediol 139.03
    bromobenzene 327.13
    dibromomethane 392.41
    1,1,2,2-tetrachloroethane 440.28
    2-methyl-cyclohexyl acetate 121.25
    tetrabutyl urea 91.17
    diisobutyl methanol 67.78
    2-phenylethanol 203.0
    styrene 170.83
    dioctyl adipate 96.34
    dimethyl sulfate 217.2
    ethyl butyrate 128.84
    methyl lactate 125.59
    butyl lactate 105.82
    diethyl carbonate 94.7
    propanediol butyl ether 130.24
    triethyl orthoformate 98.67
    p-tert-butyltoluene 88.55
    methyl 4-tert-butylbenzoate 179.23
    morpholine 537.93
    tert-butylamine 116.1
    n-dodecanol 52.6
    dimethoxymethane 405.54
    ethylene carbonate 213.48
    cyrene 154.05
    2-ethoxyethyl acetate 191.62
    2-ethylhexyl acetate 135.93
    1,2,4-trichlorobenzene 268.54
    4-methylpyridine 414.22
    dibutyl ether 98.9
    2,6-dimethyl-4-heptanol 67.78
    DEF 233.93
    dimethyl isosorbide 257.9
    tetrachloroethylene 312.35
    eugenol 170.68
    triacetin 146.92
    span 80 122.29
    1,4-butanediol 55.33
    1,1-dichloroethane 394.58
    2-methyl-1-pentanol 89.68
    methyl formate 212.94
    2-methyl-1-butanol 120.3
    n-decane 22.21
    butyronitrile 234.78
    3,7-dimethyl-1-octanol 89.6
    1-chlorooctane 82.61
    1-chlorotetradecane 36.38
    n-nonane 21.18
    undecane 16.78
    tert-butylcyclohexane 34.51
    cyclooctane 29.64
    cyclopentanol 186.74
    tetrahydropyran 474.55
    tert-amyl methyl ether 147.54
    2,5,8-trioxanonane 217.05
    1-hexene 94.59
    2-isopropoxyethanol 123.35
    2,2,2-trifluoroethanol 81.87
    methyl butyrate 169.32

    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