Ethanone, 1-(2,3,4,5,6,7-hexahydro-1,1,3-trimethyl-1H-inden-5-yl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    87641-23-4

    Molecular formula
    C14H22O

    SMILES
    CC1CC(C2=C1CC(CC2)C(=O)C)(C)C

  • Odor profile

    Fragrance
    Woody 89.77%
    Amber 59.45%
    Orris 53.43%
    Musk 53.19%
    Floral 51.58%
    Dry 51.45%
    Cedar 48.06%
    Powdery 44.91%
    Vetiver 41.71%
    Violet 40.03%

     

    Flavor
    Woody 64.62%
    Sweet 52.89%
    Dry 37.31%
    Powdery 35.21%
    Camphor 35.07%
    Herbal 33.56%
    Floral 33.31%
    Spicy 31.03%
    Wood 29.83%
    Fruity 29.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.7 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    291°C

    Flash point

    • 117.93 ˚C est.

  • Synonyms

    • 87641-23-4
    • Ethanone, 1-(2,3,4,5,6,7-hexahydro-1,1,3-trimethyl-1H-inden-5-yl)-
    • SCHEMBL20608624
    • DTXSID80888686
    • NKLOYZPNGWCCGP-UHFFFAOYSA-N

  • Applications

    CAS 87641-23-4, Ethanone, 1-(2,3,4,5,6,7-hexahydro-1,1,3-trimethyl-1H-inden-5-yl)-, is principally used as an organic synthesis intermediate and as a fragrance/odorant component in perfumery. It may serve as a building block for aroma compounds and can be incorporated into specialty formulations for personal care and household products. It is also evaluated as a precursor in the development of polymers and coatings and may appear as an intermediate in pharmaceutical synthesis. Use is typically subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1293.2
    methanol 1580.94
    isopropanol 1040.69
    water 5.8
    ethyl acetate 2532.6
    n-propanol 1338.85
    acetone 2671.14
    n-butanol 1139.5
    acetonitrile 2531.75
    DMF 2537.43
    toluene 2706.0
    isobutanol 970.16
    1,4-dioxane 4051.5
    methyl acetate 2041.11
    THF 4316.9
    2-butanone 2099.08
    n-pentanol 426.48
    sec-butanol 724.36
    n-hexane 127.92
    ethylene glycol 229.75
    NMP 1702.75
    cyclohexane 454.0
    DMSO 1079.87
    n-butyl acetate 1198.26
    n-octanol 224.65
    chloroform 5396.31
    n-propyl acetate 859.53
    acetic acid 1174.04
    dichloromethane 4176.77
    cyclohexanone 2876.28
    propylene glycol 287.47
    isopropyl acetate 1775.21
    DMAc 1632.12
    2-ethoxyethanol 690.89
    isopentanol 1041.07
    n-heptane 56.36
    ethyl formate 1212.36
    1,2-dichloroethane 2816.6
    n-hexanol 749.41
    2-methoxyethanol 1685.54
    isobutyl acetate 597.93
    tetrachloromethane 1006.34
    n-pentyl acetate 668.92
    transcutol 3953.6
    n-heptanol 297.57
    ethylbenzene 778.97
    MIBK 1106.05
    2-propoxyethanol 1453.65
    tert-butanol 1095.98
    MTBE 1620.24
    2-butoxyethanol 664.8
    propionic acid 975.95
    o-xylene 1102.46
    formic acid 516.16
    diethyl ether 2369.77
    m-xylene 1450.54
    p-xylene 923.04
    chlorobenzene 2493.31
    dimethyl carbonate 898.51
    n-octane 18.69
    formamide 916.97
    cyclopentanone 2834.94
    2-pentanone 1801.72
    anisole 1414.04
    cyclopentyl methyl ether 2044.87
    gamma-butyrolactone 3037.21
    1-methoxy-2-propanol 1208.59
    pyridine 3215.3
    3-pentanone 1553.84
    furfural 2418.57
    n-dodecane 13.08
    diethylene glycol 874.64
    diisopropyl ether 668.17
    tert-amyl alcohol 714.72
    acetylacetone 2149.09
    n-hexadecane 16.73
    acetophenone 1004.25
    methyl propionate 1697.57
    isopentyl acetate 1152.87
    trichloroethylene 5209.89
    n-nonanol 201.32
    cyclohexanol 1206.54
    benzyl alcohol 824.33
    2-ethylhexanol 390.51
    isooctanol 244.88
    dipropyl ether 583.95
    1,2-dichlorobenzene 1792.99
    ethyl lactate 309.05
    propylene carbonate 1490.75
    n-methylformamide 1586.1
    2-pentanol 632.09
    n-pentane 163.73
    1-propoxy-2-propanol 812.74
    1-methoxy-2-propyl acetate 1456.06
    2-(2-methoxypropoxy) propanol 579.83
    mesitylene 776.1
    ε-caprolactone 2307.99
    p-cymene 309.75
    epichlorohydrin 3695.01
    1,1,1-trichloroethane 3274.56
    2-aminoethanol 512.73
    morpholine-4-carbaldehyde 2362.1
    sulfolane 1839.55
    2,2,4-trimethylpentane 77.6
    2-methyltetrahydrofuran 3001.45
    n-hexyl acetate 903.35
    isooctane 71.78
    2-(2-butoxyethoxy)ethanol 900.15
    sec-butyl acetate 726.03
    tert-butyl acetate 1528.93
    decalin 145.05
    glycerin 415.85
    diglyme 1926.5
    acrylic acid 850.14
    isopropyl myristate 266.2
    n-butyric acid 1526.22
    acetyl acetate 1540.21
    di(2-ethylhexyl) phthalate 264.04
    ethyl propionate 861.3
    nitromethane 2559.2
    1,2-diethoxyethane 1283.49
    benzonitrile 1498.13
    trioctyl phosphate 166.89
    1-bromopropane 1659.47
    gamma-valerolactone 3565.89
    n-decanol 130.02
    triethyl phosphate 310.7
    4-methyl-2-pentanol 410.98
    propionitrile 2028.54
    vinylene carbonate 1577.13
    1,1,2-trichlorotrifluoroethane 1597.8
    DMS 1044.4
    cumene 416.61
    2-octanol 173.78
    2-hexanone 762.72
    octyl acetate 320.56
    limonene 394.8
    1,2-dimethoxyethane 1520.84
    ethyl orthosilicate 311.42
    tributyl phosphate 253.59
    diacetone alcohol 990.8
    N,N-dimethylaniline 752.76
    acrylonitrile 2211.04
    aniline 2246.56
    1,3-propanediol 807.48
    bromobenzene 2661.94
    dibromomethane 2676.21
    1,1,2,2-tetrachloroethane 3636.74
    2-methyl-cyclohexyl acetate 534.75
    tetrabutyl urea 274.89
    diisobutyl methanol 230.7
    2-phenylethanol 935.56
    styrene 1008.34
    dioctyl adipate 361.27
    dimethyl sulfate 950.6
    ethyl butyrate 678.85
    methyl lactate 515.5
    butyl lactate 453.34
    diethyl carbonate 478.34
    propanediol butyl ether 471.16
    triethyl orthoformate 501.65
    p-tert-butyltoluene 316.66
    methyl 4-tert-butylbenzoate 640.21
    morpholine 3927.1
    tert-butylamine 791.98
    n-dodecanol 88.81
    dimethoxymethane 2022.02
    ethylene carbonate 1488.47
    cyrene 480.85
    2-ethoxyethyl acetate 1189.58
    2-ethylhexyl acetate 887.91
    1,2,4-trichlorobenzene 2019.55
    4-methylpyridine 3536.35
    dibutyl ether 394.14
    2,6-dimethyl-4-heptanol 230.7
    DEF 1695.64
    dimethyl isosorbide 1085.9
    tetrachloroethylene 2411.35
    eugenol 576.35
    triacetin 757.55
    span 80 450.2
    1,4-butanediol 201.9
    1,1-dichloroethane 3133.94
    2-methyl-1-pentanol 426.93
    methyl formate 1249.71
    2-methyl-1-butanol 859.16
    n-decane 27.45
    butyronitrile 1709.55
    3,7-dimethyl-1-octanol 286.37
    1-chlorooctane 187.45
    1-chlorotetradecane 59.02
    n-nonane 24.9
    undecane 18.06
    tert-butylcyclohexane 110.42
    cyclooctane 132.86
    cyclopentanol 1012.84
    tetrahydropyran 3895.75
    tert-amyl methyl ether 916.67
    2,5,8-trioxanonane 990.48
    1-hexene 438.34
    2-isopropoxyethanol 501.55
    2,2,2-trifluoroethanol 595.78
    methyl butyrate 987.86

    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