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

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  • Identifiers

    CAS number
    67633-93-6

    Molecular formula
    C15H24O2

    SMILES
    CCOC(C1CC2CC1C3C2C=CC3)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 89.63%
    Herbal 66.56%
    Floral 48.86%
    Woody 46.48%
    Green 44.97%
    Sweet 38.41%
    Fresh 32.5%
    Anisic 26.55%
    Spicy 25.37%
    Jasmin 24.81%

     

    Flavor
    Fruity 41.35%
    Fatty 26.06%
    Bitter 26.0%
    Fruit 25.92%
    Green 23.56%
    Tropical 22.87%
    Floral 21.27%
    Alkaline 20.77%
    Cauliflower 20.53%
    Earthy 20.48%

     

    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

    • 99.69 ˚C est.

  • Synonyms

    • EINECS 266-794-8
    • 4,7-Methano-1H-indene, 6-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-
    • DTXSID70867288
    • 6-(Diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene
    • 4,7-Methano-1H-indene-6-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, diethyl acetal
    • RefChem:96755
    • DTXCID70815481
    • 266-794-8
    • 67633-93-6
    • 6-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene
    • MKDRAXRIIOTPLJ-UHFFFAOYSA-N
    • NS00012217
    • 67633-93-6

  • Applications

    Chemical name: 4,7-Methano-1H-indene, 6-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-, CAS 67633-93-6. This bicyclic hydrocarbon bearing a diethoxymethyl acetal group is primarily used as an organic synthesis intermediate for pharmaceuticals, agrochemicals, and specialty chemicals. The acetal functionality provides a protected aldehyde equivalent that enables selective transformations and ring-forming steps in synthetic routes. In industrial manufacturing, it may serve as a precursor for specialty monomers, polymer materials, coatings, and adhesives. In fragrance chemistry, it can be evaluated as a scaffold for aroma compounds and may function as an odorant or fixative in limited formulations, subject to regulatory constraints. It is also considered as a building block in research and development of advanced materials or functional chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 997.5
    methanol 850.59
    isopropanol 1076.69
    water 5.1
    ethyl acetate 1275.81
    n-propanol 937.37
    acetone 1161.94
    n-butanol 1063.82
    acetonitrile 1022.57
    DMF 696.95
    toluene 1241.21
    isobutanol 916.8
    1,4-dioxane 2122.31
    methyl acetate 855.92
    THF 2424.77
    2-butanone 917.05
    n-pentanol 698.65
    sec-butanol 868.18
    n-hexane 267.74
    ethylene glycol 143.38
    NMP 667.27
    cyclohexane 787.49
    DMSO 667.6
    n-butyl acetate 1033.29
    n-octanol 436.39
    chloroform 5522.1
    n-propyl acetate 845.47
    acetic acid 963.96
    dichloromethane 4247.06
    cyclohexanone 1668.73
    propylene glycol 229.36
    isopropyl acetate 1080.85
    DMAc 598.82
    2-ethoxyethanol 780.18
    isopentanol 1078.8
    n-heptane 222.21
    ethyl formate 756.39
    1,2-dichloroethane 2081.06
    n-hexanol 847.65
    2-methoxyethanol 1000.85
    isobutyl acetate 684.16
    tetrachloromethane 1135.03
    n-pentyl acetate 723.06
    transcutol 1999.64
    n-heptanol 455.21
    ethylbenzene 546.5
    MIBK 792.35
    2-propoxyethanol 1066.07
    tert-butanol 1065.12
    MTBE 1223.46
    2-butoxyethanol 691.86
    propionic acid 630.55
    o-xylene 611.37
    formic acid 227.49
    diethyl ether 1402.96
    m-xylene 776.76
    p-xylene 716.21
    chlorobenzene 1430.97
    dimethyl carbonate 395.26
    n-octane 99.5
    formamide 300.03
    cyclopentanone 1450.94
    2-pentanone 990.31
    anisole 754.36
    cyclopentyl methyl ether 1302.0
    gamma-butyrolactone 1560.33
    1-methoxy-2-propanol 909.75
    pyridine 1755.32
    3-pentanone 684.32
    furfural 1250.13
    n-dodecane 85.84
    diethylene glycol 642.52
    diisopropyl ether 599.68
    tert-amyl alcohol 751.29
    acetylacetone 1084.88
    n-hexadecane 98.65
    acetophenone 651.69
    methyl propionate 712.79
    isopentyl acetate 1016.83
    trichloroethylene 3434.78
    n-nonanol 379.14
    cyclohexanol 1208.95
    benzyl alcohol 636.8
    2-ethylhexanol 542.47
    isooctanol 417.24
    dipropyl ether 662.83
    1,2-dichlorobenzene 1169.73
    ethyl lactate 351.89
    propylene carbonate 1157.8
    n-methylformamide 434.85
    2-pentanol 863.98
    n-pentane 337.19
    1-propoxy-2-propanol 765.09
    1-methoxy-2-propyl acetate 830.35
    2-(2-methoxypropoxy) propanol 493.67
    mesitylene 534.86
    ε-caprolactone 1405.13
    p-cymene 358.49
    epichlorohydrin 1835.86
    1,1,1-trichloroethane 2365.95
    2-aminoethanol 341.45
    morpholine-4-carbaldehyde 967.27
    sulfolane 1142.45
    2,2,4-trimethylpentane 165.49
    2-methyltetrahydrofuran 1819.74
    n-hexyl acetate 866.69
    isooctane 163.83
    2-(2-butoxyethoxy)ethanol 714.97
    sec-butyl acetate 660.68
    tert-butyl acetate 904.13
    decalin 254.4
    glycerin 319.61
    diglyme 1370.0
    acrylic acid 518.68
    isopropyl myristate 350.43
    n-butyric acid 1369.88
    acetyl acetate 1042.83
    di(2-ethylhexyl) phthalate 296.71
    ethyl propionate 665.6
    nitromethane 1018.86
    1,2-diethoxyethane 989.6
    benzonitrile 1075.62
    trioctyl phosphate 232.82
    1-bromopropane 1539.92
    gamma-valerolactone 1650.46
    n-decanol 274.8
    triethyl phosphate 317.02
    4-methyl-2-pentanol 580.8
    propionitrile 974.29
    vinylene carbonate 1128.11
    1,1,2-trichlorotrifluoroethane 1088.21
    DMS 555.85
    cumene 385.8
    2-octanol 336.08
    2-hexanone 682.82
    octyl acetate 407.09
    limonene 476.2
    1,2-dimethoxyethane 1392.97
    ethyl orthosilicate 332.59
    tributyl phosphate 290.25
    diacetone alcohol 658.41
    N,N-dimethylaniline 457.19
    acrylonitrile 888.63
    aniline 993.01
    1,3-propanediol 678.76
    bromobenzene 1797.03
    dibromomethane 3047.14
    1,1,2,2-tetrachloroethane 2697.31
    2-methyl-cyclohexyl acetate 537.84
    tetrabutyl urea 304.23
    diisobutyl methanol 363.3
    2-phenylethanol 663.65
    styrene 687.04
    dioctyl adipate 427.9
    dimethyl sulfate 450.3
    ethyl butyrate 734.45
    methyl lactate 380.08
    butyl lactate 419.69
    diethyl carbonate 513.57
    propanediol butyl ether 498.52
    triethyl orthoformate 525.03
    p-tert-butyltoluene 340.23
    methyl 4-tert-butylbenzoate 545.4
    morpholine 1859.51
    tert-butylamine 828.97
    n-dodecanol 219.88
    dimethoxymethane 919.74
    ethylene carbonate 1125.81
    cyrene 450.66
    2-ethoxyethyl acetate 787.27
    2-ethylhexyl acetate 786.97
    1,2,4-trichlorobenzene 1186.48
    4-methylpyridine 1624.77
    dibutyl ether 633.33
    2,6-dimethyl-4-heptanol 363.3
    DEF 778.95
    dimethyl isosorbide 796.4
    tetrachloroethylene 2012.53
    eugenol 504.77
    triacetin 660.07
    span 80 472.2
    1,4-butanediol 317.78
    1,1-dichloroethane 2508.57
    2-methyl-1-pentanol 691.15
    methyl formate 423.3
    2-methyl-1-butanol 893.91
    n-decane 138.02
    butyronitrile 1273.89
    3,7-dimethyl-1-octanol 452.83
    1-chlorooctane 407.59
    1-chlorotetradecane 182.5
    n-nonane 137.73
    undecane 103.38
    tert-butylcyclohexane 210.26
    cyclooctane 290.31
    cyclopentanol 1028.09
    tetrahydropyran 2355.43
    tert-amyl methyl ether 687.38
    2,5,8-trioxanonane 788.82
    1-hexene 588.89
    2-isopropoxyethanol 666.51
    2,2,2-trifluoroethanol 434.88
    methyl butyrate 889.33

    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