1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol

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  • Identifiers

    CAS number
    97866-86-9

    Molecular formula
    C13H20O

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

  • Odor profile

    Fragrance
    Fruity 89.94%
    Berry 43.78%
    Woody 38.85%
    Spicy 33.76%
    Tropical 31.6%
    Black currant 30.64%
    Raspberry 25.58%
    Earthy 22.57%
    Dry 21.44%
    Natural 20.72%

     

    Flavor
    Woody 59.71%
    Herbal 48.45%
    Camphor 40.58%
    Pine 38.59%
    Fresh 35.14%
    Balsam 35.04%
    Bitter 33.65%
    Herb 32.2%
    Spicy 30.84%
    Wood 29.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.0 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 131.89 ˚C est.

    Solubility expt.

    • Slightly soluble
    • Soluble (in ethanol)

  • Synonyms

    • CHEBI:177980
    • DTXSID101019722
    • 97866-86-9
    • 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
    • 2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol
    • 2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol
    • SCHEMBL1245659
    • FEMA 4521
    • DTXCID801477636
    • 2,2,6,7-tetramethyl bicyclo(4.3.0)nona-4,9(1)-dien-8-ol
    • 1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
    • 2,2,6,7-tetramethyl bicyclo(4,3,0)nona-4,9(1)-dien-8-ol
    • 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-ol

  • Applications

    For 1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol (CAS number: 97866-86-9), this compound is primarily viewed as an organic synthesis intermediate. In the fragrance and cosmetic industries, it may serve as a fragrance intermediate or a chiral building block for aroma compounds. It is also evaluated as an intermediate in pharmaceutical synthesis and can feed into the preparation of more complex active ingredients. In the polymers and coatings arena, it can act as a specialty building block for resins or coatings formulations and can contribute to functionalized polymers. Additionally, due to its cyclic structure and hydroxyl group, it is used in research and development as a starting material for designing new intermediates in organic synthesis, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.62
    methanol 208.33
    isopropanol 151.23
    water 1.47
    ethyl acetate 190.67
    n-propanol 168.94
    acetone 237.48
    n-butanol 153.32
    acetonitrile 186.54
    DMF 347.24
    toluene 193.4
    isobutanol 123.18
    1,4-dioxane 493.22
    methyl acetate 180.62
    THF 831.57
    2-butanone 208.75
    n-pentanol 86.78
    sec-butanol 111.92
    n-hexane 26.82
    ethylene glycol 44.92
    NMP 205.88
    cyclohexane 41.85
    DMSO 189.26
    n-butyl acetate 149.57
    n-octanol 99.31
    chloroform 387.96
    n-propyl acetate 97.82
    acetic acid 71.59
    dichloromethane 308.18
    cyclohexanone 277.01
    propylene glycol 47.74
    isopropyl acetate 141.41
    DMAc 180.45
    2-ethoxyethanol 128.25
    isopentanol 121.45
    n-heptane 30.14
    ethyl formate 106.56
    1,2-dichloroethane 227.18
    n-hexanol 196.54
    2-methoxyethanol 246.81
    isobutyl acetate 83.97
    tetrachloromethane 99.65
    n-pentyl acetate 122.61
    transcutol 266.6
    n-heptanol 111.71
    ethylbenzene 96.6
    MIBK 137.46
    2-propoxyethanol 289.11
    tert-butanol 164.66
    MTBE 173.92
    2-butoxyethanol 170.48
    propionic acid 84.87
    o-xylene 109.15
    formic acid 35.44
    diethyl ether 231.83
    m-xylene 154.05
    p-xylene 109.92
    chlorobenzene 152.96
    dimethyl carbonate 99.47
    n-octane 16.75
    formamide 59.59
    cyclopentanone 403.54
    2-pentanone 198.41
    anisole 157.75
    cyclopentyl methyl ether 293.67
    gamma-butyrolactone 361.71
    1-methoxy-2-propanol 223.79
    pyridine 257.53
    3-pentanone 150.98
    furfural 223.09
    n-dodecane 13.03
    diethylene glycol 189.65
    diisopropyl ether 87.77
    tert-amyl alcohol 114.74
    acetylacetone 199.23
    n-hexadecane 14.99
    acetophenone 117.38
    methyl propionate 167.2
    isopentyl acetate 143.17
    trichloroethylene 311.91
    n-nonanol 87.05
    cyclohexanol 127.13
    benzyl alcohol 97.96
    2-ethylhexanol 104.38
    isooctanol 85.42
    dipropyl ether 135.39
    1,2-dichlorobenzene 131.63
    ethyl lactate 66.64
    propylene carbonate 163.47
    n-methylformamide 158.15
    2-pentanol 109.85
    n-pentane 34.89
    1-propoxy-2-propanol 186.93
    1-methoxy-2-propyl acetate 178.05
    2-(2-methoxypropoxy) propanol 117.58
    mesitylene 101.37
    ε-caprolactone 203.09
    p-cymene 69.83
    epichlorohydrin 386.72
    1,1,1-trichloroethane 211.12
    2-aminoethanol 81.82
    morpholine-4-carbaldehyde 273.96
    sulfolane 273.73
    2,2,4-trimethylpentane 17.87
    2-methyltetrahydrofuran 370.16
    n-hexyl acetate 157.87
    isooctane 18.98
    2-(2-butoxyethoxy)ethanol 164.33
    sec-butyl acetate 84.12
    tert-butyl acetate 151.24
    decalin 26.0
    glycerin 73.33
    diglyme 289.4
    acrylic acid 68.79
    isopropyl myristate 69.74
    n-butyric acid 123.2
    acetyl acetate 115.99
    di(2-ethylhexyl) phthalate 61.77
    ethyl propionate 106.59
    nitromethane 166.66
    1,2-diethoxyethane 143.38
    benzonitrile 139.19
    trioctyl phosphate 54.76
    1-bromopropane 173.6
    gamma-valerolactone 379.23
    n-decanol 66.99
    triethyl phosphate 57.98
    4-methyl-2-pentanol 83.61
    propionitrile 186.64
    vinylene carbonate 151.76
    1,1,2-trichlorotrifluoroethane 156.83
    DMS 127.02
    cumene 73.23
    2-octanol 79.84
    2-hexanone 109.66
    octyl acetate 82.72
    limonene 82.95
    1,2-dimethoxyethane 236.79
    ethyl orthosilicate 60.12
    tributyl phosphate 55.2
    diacetone alcohol 149.72
    N,N-dimethylaniline 107.0
    acrylonitrile 189.13
    aniline 138.79
    1,3-propanediol 118.68
    bromobenzene 168.9
    dibromomethane 232.27
    1,1,2,2-tetrachloroethane 244.45
    2-methyl-cyclohexyl acetate 96.67
    tetrabutyl urea 70.14
    diisobutyl methanol 70.0
    2-phenylethanol 143.83
    styrene 100.87
    dioctyl adipate 72.56
    dimethyl sulfate 127.63
    ethyl butyrate 105.18
    methyl lactate 87.72
    butyl lactate 85.03
    diethyl carbonate 71.42
    propanediol butyl ether 123.85
    triethyl orthoformate 80.48
    p-tert-butyltoluene 72.67
    methyl 4-tert-butylbenzoate 129.42
    morpholine 428.09
    tert-butylamine 117.49
    n-dodecanol 52.55
    dimethoxymethane 334.98
    ethylene carbonate 137.9
    cyrene 110.01
    2-ethoxyethyl acetate 152.61
    2-ethylhexyl acetate 117.55
    1,2,4-trichlorobenzene 139.46
    4-methylpyridine 240.47
    dibutyl ether 91.07
    2,6-dimethyl-4-heptanol 70.0
    DEF 153.87
    dimethyl isosorbide 190.59
    tetrachloroethylene 179.58
    eugenol 123.8
    triacetin 106.61
    span 80 102.05
    1,4-butanediol 44.4
    1,1-dichloroethane 228.54
    2-methyl-1-pentanol 75.25
    methyl formate 136.34
    2-methyl-1-butanol 107.52
    n-decane 22.74
    butyronitrile 185.66
    3,7-dimethyl-1-octanol 84.6
    1-chlorooctane 74.77
    1-chlorotetradecane 31.11
    n-nonane 21.57
    undecane 16.77
    tert-butylcyclohexane 26.76
    cyclooctane 22.65
    cyclopentanol 152.85
    tetrahydropyran 408.79
    tert-amyl methyl ether 124.83
    2,5,8-trioxanonane 178.22
    1-hexene 74.02
    2-isopropoxyethanol 100.54
    2,2,2-trifluoroethanol 49.04
    methyl butyrate 114.1

    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