3a,4,5,6,7,7a-hexahydromethoxydimethyl-4,7-methano-1H-indene

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  • Identifiers

    CAS number
    93942-00-8

    Molecular formula
    C13H20O

    SMILES
    CC1C2C3CCC(C3)C2C(=C1C)OC

  • Odor profile

    Fragrance
    Woody 76.37%
    Herbal 69.31%
    Spicy 64.65%
    Earthy 41.57%
    Camphoreous 35.69%
    Mint 34.61%
    Fresh 34.23%
    Balsamic 29.64%
    Pine 28.85%
    Cedar 26.05%

     

    Flavor
    Herbal 38.85%
    Bitter 32.42%
    Herb 32.36%
    Fruity 30.77%
    Fruit 28.64%
    Wood 27.34%
    Earthy 26.42%
    Woody 25.47%
    Fresh 23.26%
    Cedarleaf 23.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.08 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 73.01 ˚C est.

  • Synonyms

    • 3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene
    • EINECS 300-549-9
    • 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydromethoxydimethyl-
    • 93942-00-8
    • DTXSID00869159
    • VOJLZMSJAQIWCN-UHFFFAOYSA-N
    • 3-Methoxy-1,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene
    • 300-549-9

  • Applications

    The compound 3a,4,5,6,7,7a-hexahydromethoxydimethyl-4,7-methano-1H-indene (CAS 93942-00-8) is primarily used as an organic synthesis intermediate and building block for specialty chemicals. In the fragrance industry, it may serve as a fragrance component or fixative; in cosmetics/personal care, it may be evaluated as an aroma-related intermediate. It also serves as a precursor or processing aid in coatings and inks, and as a monomer precursor or additive in polymers/plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1195.87
    methanol 1572.6
    isopropanol 1320.19
    water 35.23
    ethyl acetate 1412.22
    n-propanol 1198.98
    acetone 2018.09
    n-butanol 1224.36
    acetonitrile 2467.52
    DMF 1726.93
    toluene 1739.81
    isobutanol 987.24
    1,4-dioxane 2981.25
    methyl acetate 1376.41
    THF 3367.25
    2-butanone 1437.94
    n-pentanol 602.96
    sec-butanol 874.37
    n-hexane 139.31
    ethylene glycol 418.09
    NMP 1076.0
    cyclohexane 430.36
    DMSO 956.88
    n-butyl acetate 1080.85
    n-octanol 571.44
    chloroform 7731.69
    n-propyl acetate 834.23
    acetic acid 1155.85
    dichloromethane 6127.55
    cyclohexanone 2242.59
    propylene glycol 400.56
    isopropyl acetate 1095.28
    DMAc 859.15
    2-ethoxyethanol 951.18
    isopentanol 1007.18
    n-heptane 186.21
    ethyl formate 1388.96
    1,2-dichloroethane 2746.33
    n-hexanol 876.1
    2-methoxyethanol 1629.51
    isobutyl acetate 634.97
    tetrachloromethane 1598.81
    n-pentyl acetate 797.76
    transcutol 1720.99
    n-heptanol 594.94
    ethylbenzene 640.37
    MIBK 922.91
    2-propoxyethanol 1386.1
    tert-butanol 1126.92
    MTBE 1064.26
    2-butoxyethanol 978.22
    propionic acid 969.3
    o-xylene 888.34
    formic acid 485.11
    diethyl ether 1314.75
    m-xylene 1116.04
    p-xylene 842.06
    chlorobenzene 2161.53
    dimethyl carbonate 701.21
    n-octane 101.32
    formamide 709.95
    cyclopentanone 2436.73
    2-pentanone 1261.27
    anisole 1108.8
    cyclopentyl methyl ether 1422.15
    gamma-butyrolactone 2679.56
    1-methoxy-2-propanol 1176.13
    pyridine 2730.95
    3-pentanone 913.16
    furfural 2385.73
    n-dodecane 92.42
    diethylene glycol 986.74
    diisopropyl ether 504.3
    tert-amyl alcohol 713.01
    acetylacetone 1543.94
    n-hexadecane 107.44
    acetophenone 906.12
    methyl propionate 1024.26
    isopentyl acetate 1041.95
    trichloroethylene 5058.59
    n-nonanol 467.95
    cyclohexanol 1172.15
    benzyl alcohol 934.17
    2-ethylhexanol 531.63
    isooctanol 507.06
    dipropyl ether 614.58
    1,2-dichlorobenzene 1817.83
    ethyl lactate 462.84
    propylene carbonate 1691.36
    n-methylformamide 1278.6
    2-pentanol 769.8
    n-pentane 216.18
    1-propoxy-2-propanol 873.17
    1-methoxy-2-propyl acetate 987.8
    2-(2-methoxypropoxy) propanol 595.89
    mesitylene 756.0
    ε-caprolactone 1704.25
    p-cymene 530.37
    epichlorohydrin 3118.18
    1,1,1-trichloroethane 3308.52
    2-aminoethanol 644.28
    morpholine-4-carbaldehyde 1678.7
    sulfolane 1766.36
    2,2,4-trimethylpentane 114.51
    2-methyltetrahydrofuran 1947.75
    n-hexyl acetate 1019.31
    isooctane 135.35
    2-(2-butoxyethoxy)ethanol 818.53
    sec-butyl acetate 596.35
    tert-butyl acetate 958.44
    decalin 173.23
    glycerin 548.94
    diglyme 1887.98
    acrylic acid 946.09
    isopropyl myristate 429.97
    n-butyric acid 1445.53
    acetyl acetate 1165.73
    di(2-ethylhexyl) phthalate 372.43
    ethyl propionate 736.07
    nitromethane 2086.55
    1,2-diethoxyethane 917.43
    benzonitrile 1876.95
    trioctyl phosphate 279.95
    1-bromopropane 1584.62
    gamma-valerolactone 2726.53
    n-decanol 334.49
    triethyl phosphate 365.72
    4-methyl-2-pentanol 496.35
    propionitrile 1941.23
    vinylene carbonate 1844.03
    1,1,2-trichlorotrifluoroethane 1540.85
    DMS 800.73
    cumene 471.91
    2-octanol 426.19
    2-hexanone 709.56
    octyl acetate 501.48
    limonene 605.1
    1,2-dimethoxyethane 1584.27
    ethyl orthosilicate 347.84
    tributyl phosphate 316.42
    diacetone alcohol 778.17
    N,N-dimethylaniline 612.97
    acrylonitrile 2243.14
    aniline 1377.26
    1,3-propanediol 1011.39
    bromobenzene 2500.69
    dibromomethane 3769.13
    1,1,2,2-tetrachloroethane 3361.91
    2-methyl-cyclohexyl acetate 579.53
    tetrabutyl urea 372.44
    diisobutyl methanol 389.34
    2-phenylethanol 939.33
    styrene 801.94
    dioctyl adipate 501.95
    dimethyl sulfate 714.11
    ethyl butyrate 784.68
    methyl lactate 530.75
    butyl lactate 532.37
    diethyl carbonate 574.92
    propanediol butyl ether 635.22
    triethyl orthoformate 527.48
    p-tert-butyltoluene 493.88
    methyl 4-tert-butylbenzoate 820.54
    morpholine 2234.45
    tert-butylamine 801.07
    n-dodecanol 263.23
    dimethoxymethane 1510.96
    ethylene carbonate 1611.72
    cyrene 557.22
    2-ethoxyethyl acetate 932.34
    2-ethylhexyl acetate 782.22
    1,2,4-trichlorobenzene 1801.52
    4-methylpyridine 2465.58
    dibutyl ether 608.27
    2,6-dimethyl-4-heptanol 389.34
    DEF 1028.5
    dimethyl isosorbide 1011.05
    tetrachloroethylene 2510.06
    eugenol 762.82
    triacetin 745.66
    span 80 533.97
    1,4-butanediol 435.43
    1,1-dichloroethane 3205.14
    2-methyl-1-pentanol 527.55
    methyl formate 1335.43
    2-methyl-1-butanol 853.58
    n-decane 144.71
    butyronitrile 1994.84
    3,7-dimethyl-1-octanol 487.28
    1-chlorooctane 485.03
    1-chlorotetradecane 206.01
    n-nonane 141.15
    undecane 112.16
    tert-butylcyclohexane 154.82
    cyclooctane 200.14
    cyclopentanol 1196.08
    tetrahydropyran 2270.13
    tert-amyl methyl ether 591.68
    2,5,8-trioxanonane 1046.29
    1-hexene 386.7
    2-isopropoxyethanol 694.43
    2,2,2-trifluoroethanol 687.67
    methyl butyrate 926.36

    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