4,7-Methano-1H-indene, 5-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-

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  • Identifiers

    CAS number
    67633-92-5

    Molecular formula
    C15H24O2

    SMILES
    CCOC(C1CC2CC1C3C2CC=C3)OCC

  • Odor profile

    Fragrance
    Fruity 89.67%
    Herbal 66.87%
    Floral 47.49%
    Woody 46.92%
    Green 44.15%
    Sweet 38.98%
    Fresh 32.31%
    Anisic 26.57%
    Spicy 25.3%
    Jasmin 24.38%

     

    Flavor
    Fruity 41.84%
    Fatty 26.27%
    Bitter 26.18%
    Fruit 26.01%
    Green 23.31%
    Tropical 23.0%
    Floral 21.39%
    Alkaline 20.73%
    Waxy 20.51%
    Cauliflower 20.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.63 (neutral)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    290°C

    Flash point

    • 99.05 ˚C est.

  • Synonyms

    • 67633-92-5
    • EINECS 266-793-2
    • 4,7-Methano-1H-indene, 5-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-
    • DTXSID10867287
    • 5-(Diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene
    • 5-(Diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene
    • 4,7-Methano-1H-indene-5-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, diethyl acetal
    • SCHEMBL8908155
    • DTXCID10815480
    • NFJHOPJJPMLCRF-UHFFFAOYSA-N
    • NS00012216
    • 9-(diethoxymethyl)tricyclo[5.2.1.0,dec-3-ene
    • 9-(diethoxymethyl)tricyclo[5.2.1.0(2),]dec-3-ene
    • 266-793-2

  • Applications

    4,7-Methano-1H-indene, 5-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro- (CAS 67633-92-5) is primarily used as an advanced organic synthesis intermediate and building block for constructing rigid bicyclic frameworks that can be further functionalized. The diethoxymethyl substituent indicates potential use as a protecting group for carbonyl functionality during multi-step sequences. The indene-derived bicyclic scaffold also serves as a platform in fragrance and flavor chemistry, enabling development of novel aroma compounds. In materials science, it can function as a precursor or rigid monomer for specialty polymers and resins, contributing to defined stereochemistry and mechanical properties. Additionally, it is evaluated as a niche reagent or building block in pharmaceutical or agrochemical research, where diverse stereochemical variants can be explored, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1073.28
    methanol 910.99
    isopropanol 1180.7
    water 5.24
    ethyl acetate 1467.48
    n-propanol 1010.84
    acetone 1336.12
    n-butanol 1147.0
    acetonitrile 1171.68
    DMF 783.51
    toluene 1321.01
    isobutanol 995.98
    1,4-dioxane 2363.53
    methyl acetate 986.67
    THF 2685.75
    2-butanone 1019.97
    n-pentanol 732.58
    sec-butanol 939.63
    n-hexane 286.52
    ethylene glycol 156.62
    NMP 731.98
    cyclohexane 848.98
    DMSO 739.57
    n-butyl acetate 1146.63
    n-octanol 460.26
    chloroform 5961.42
    n-propyl acetate 940.7
    acetic acid 1073.98
    dichloromethane 4656.38
    cyclohexanone 1843.21
    propylene glycol 247.01
    isopropyl acetate 1249.77
    DMAc 666.9
    2-ethoxyethanol 848.74
    isopentanol 1176.66
    n-heptane 230.56
    ethyl formate 836.51
    1,2-dichloroethane 2305.62
    n-hexanol 887.88
    2-methoxyethanol 1111.81
    isobutyl acetate 757.76
    tetrachloromethane 1232.12
    n-pentyl acetate 789.24
    transcutol 2220.21
    n-heptanol 476.94
    ethylbenzene 581.13
    MIBK 904.14
    2-propoxyethanol 1154.05
    tert-butanol 1198.07
    MTBE 1406.07
    2-butoxyethanol 739.33
    propionic acid 687.17
    o-xylene 656.28
    formic acid 250.47
    diethyl ether 1618.73
    m-xylene 836.33
    p-xylene 767.42
    chlorobenzene 1527.34
    dimethyl carbonate 455.96
    n-octane 105.91
    formamide 336.82
    cyclopentanone 1609.62
    2-pentanone 1121.34
    anisole 826.68
    cyclopentyl methyl ether 1445.66
    gamma-butyrolactone 1720.4
    1-methoxy-2-propanol 1012.35
    pyridine 1880.22
    3-pentanone 773.6
    furfural 1368.35
    n-dodecane 90.69
    diethylene glycol 699.9
    diisopropyl ether 690.12
    tert-amyl alcohol 830.07
    acetylacetone 1242.61
    n-hexadecane 104.47
    acetophenone 702.96
    methyl propionate 816.6
    isopentyl acetate 1130.18
    trichloroethylene 3797.49
    n-nonanol 399.75
    cyclohexanol 1314.04
    benzyl alcohol 675.27
    2-ethylhexanol 575.09
    isooctanol 440.79
    dipropyl ether 721.81
    1,2-dichlorobenzene 1264.19
    ethyl lactate 381.91
    propylene carbonate 1276.23
    n-methylformamide 485.17
    2-pentanol 955.31
    n-pentane 365.35
    1-propoxy-2-propanol 829.8
    1-methoxy-2-propyl acetate 932.04
    2-(2-methoxypropoxy) propanol 532.4
    mesitylene 578.47
    ε-caprolactone 1555.11
    p-cymene 378.59
    epichlorohydrin 2038.22
    1,1,1-trichloroethane 2633.1
    2-aminoethanol 366.48
    morpholine-4-carbaldehyde 1074.25
    sulfolane 1247.82
    2,2,4-trimethylpentane 178.37
    2-methyltetrahydrofuran 2017.75
    n-hexyl acetate 951.79
    isooctane 176.7
    2-(2-butoxyethoxy)ethanol 777.71
    sec-butyl acetate 736.81
    tert-butyl acetate 1041.71
    decalin 273.71
    glycerin 345.39
    diglyme 1496.93
    acrylic acid 565.96
    isopropyl myristate 378.77
    n-butyric acid 1516.24
    acetyl acetate 1196.48
    di(2-ethylhexyl) phthalate 313.46
    ethyl propionate 745.9
    nitromethane 1178.42
    1,2-diethoxyethane 1129.93
    benzonitrile 1141.2
    trioctyl phosphate 245.71
    1-bromopropane 1689.71
    gamma-valerolactone 1820.62
    n-decanol 290.24
    triethyl phosphate 345.26
    4-methyl-2-pentanol 639.24
    propionitrile 1077.13
    vinylene carbonate 1242.71
    1,1,2-trichlorotrifluoroethane 1198.31
    DMS 618.55
    cumene 411.53
    2-octanol 354.12
    2-hexanone 749.47
    octyl acetate 437.03
    limonene 511.08
    1,2-dimethoxyethane 1523.92
    ethyl orthosilicate 359.69
    tributyl phosphate 311.22
    diacetone alcohol 741.1
    N,N-dimethylaniline 491.25
    acrylonitrile 976.66
    aniline 1061.54
    1,3-propanediol 738.67
    bromobenzene 1931.97
    dibromomethane 3293.45
    1,1,2,2-tetrachloroethane 2962.38
    2-methyl-cyclohexyl acetate 581.55
    tetrabutyl urea 326.34
    diisobutyl methanol 387.81
    2-phenylethanol 700.7
    styrene 735.06
    dioctyl adipate 461.42
    dimethyl sulfate 514.44
    ethyl butyrate 813.43
    methyl lactate 422.94
    butyl lactate 451.65
    diethyl carbonate 565.68
    propanediol butyl ether 534.55
    triethyl orthoformate 573.54
    p-tert-butyltoluene 360.0
    methyl 4-tert-butylbenzoate 584.5
    morpholine 2060.68
    tert-butylamine 920.05
    n-dodecanol 232.5
    dimethoxymethane 1047.59
    ethylene carbonate 1246.86
    cyrene 476.54
    2-ethoxyethyl acetate 871.04
    2-ethylhexyl acetate 863.57
    1,2,4-trichlorobenzene 1278.25
    4-methylpyridine 1749.97
    dibutyl ether 696.1
    2,6-dimethyl-4-heptanol 387.81
    DEF 893.24
    dimethyl isosorbide 875.26
    tetrachloroethylene 2199.95
    eugenol 536.65
    triacetin 718.65
    span 80 502.74
    1,4-butanediol 337.58
    1,1-dichloroethane 2803.96
    2-methyl-1-pentanol 736.22
    methyl formate 475.68
    2-methyl-1-butanol 969.58
    n-decane 146.18
    butyronitrile 1408.06
    3,7-dimethyl-1-octanol 487.63
    1-chlorooctane 433.94
    1-chlorotetradecane 195.58
    n-nonane 146.27
    undecane 109.18
    tert-butylcyclohexane 226.0
    cyclooctane 313.77
    cyclopentanol 1102.65
    tetrahydropyran 2589.17
    tert-amyl methyl ether 777.33
    2,5,8-trioxanonane 853.03
    1-hexene 626.89
    2-isopropoxyethanol 735.2
    2,2,2-trifluoroethanol 482.6
    methyl butyrate 992.1

    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