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

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  • Identifiers

    CAS number
    27135-90-6

    Molecular formula
    C11H16O

    SMILES
    COC1C=CC2C1C3CCC2C3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 84.4%
    Herbal 72.8%
    Woody 61.0%
    Green 56.73%
    Floral 45.78%
    Sweet 41.6%
    Fresh 37.12%
    Spicy 35.47%
    Anisic 30.94%
    Oily 27.22%

     

    Flavor
    Bitter 36.08%
    Fruity 22.95%
    Alkaline 22.9%
    Herbal 22.79%
    Animal 22.18%
    Shrimp 21.92%
    Cedarleaf 21.43%
    Fruit 21.3%
    Herb 20.8%
    Cereal 20.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.45 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    219°C

    Flash point

    • 64.21 ˚C est.

  • Synonyms

    • 3a,4,5,6,7,7a-Hexahydromethoxy-4,7-methano-1H-indene
    • 27135-90-6
    • EINECS 248-247-5
    • 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydromethoxy-
    • RefChem:95547
    • 248-247-5
    • SCHEMBL17627645
    • SIARUXURUGLXOZ-UHFFFAOYSA-N
    • NS00050102
    • 27135-90-6

  • Applications

    3a,4,5,6,7,7a-hexahydromethoxy-4,7-methano-1H-indene (CAS 27135-90-6) is a bicyclic, methoxy-substituted indene derivative used primarily as an intermediate in the synthesis of specialty fragrance and flavor materials. It may serve as a building block or odorant precursor in perfumery and taste chemistry, and can be evaluated as a chiral scaffold or intermediate in pharmaceutical or agrochemical research. In industrial manufacturing it is sometimes employed as a precursor for specialty polymers or coatings formulations, or as a reactive intermediate in organic synthesis. Its exact applications depend on formulation needs and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 680.4
    methanol 744.92
    isopropanol 650.72
    water 14.18
    ethyl acetate 601.8
    n-propanol 620.13
    acetone 725.88
    n-butanol 605.12
    acetonitrile 878.84
    DMF 597.09
    toluene 725.41
    isobutanol 487.56
    1,4-dioxane 1327.98
    methyl acetate 557.08
    THF 1397.32
    2-butanone 550.79
    n-pentanol 322.38
    sec-butanol 435.2
    n-hexane 94.42
    ethylene glycol 231.57
    NMP 442.84
    cyclohexane 285.65
    DMSO 570.6
    n-butyl acetate 465.26
    n-octanol 261.48
    chloroform 2884.88
    n-propyl acetate 337.67
    acetic acid 545.44
    dichloromethane 2277.33
    cyclohexanone 797.84
    propylene glycol 265.88
    isopropyl acetate 432.71
    DMAc 370.26
    2-ethoxyethanol 497.18
    isopentanol 487.81
    n-heptane 134.69
    ethyl formate 529.67
    1,2-dichloroethane 1052.67
    n-hexanol 501.74
    2-methoxyethanol 815.52
    isobutyl acetate 264.23
    tetrachloromethane 596.68
    n-pentyl acetate 267.86
    transcutol 1226.21
    n-heptanol 261.76
    ethylbenzene 283.95
    MIBK 385.09
    2-propoxyethanol 693.26
    tert-butanol 580.25
    MTBE 484.94
    2-butoxyethanol 432.68
    propionic acid 453.62
    o-xylene 359.32
    formic acid 217.74
    diethyl ether 591.68
    m-xylene 459.8
    p-xylene 336.86
    chlorobenzene 765.52
    dimethyl carbonate 275.38
    n-octane 58.74
    formamide 293.57
    cyclopentanone 839.05
    2-pentanone 508.96
    anisole 469.39
    cyclopentyl methyl ether 631.12
    gamma-butyrolactone 949.83
    1-methoxy-2-propanol 635.03
    pyridine 1059.84
    3-pentanone 369.87
    furfural 863.43
    n-dodecane 56.05
    diethylene glycol 582.13
    diisopropyl ether 243.36
    tert-amyl alcohol 361.81
    acetylacetone 566.83
    n-hexadecane 62.33
    acetophenone 366.08
    methyl propionate 426.06
    isopentyl acetate 429.01
    trichloroethylene 1666.11
    n-nonanol 225.91
    cyclohexanol 549.25
    benzyl alcohol 374.9
    2-ethylhexanol 286.99
    isooctanol 223.62
    dipropyl ether 386.58
    1,2-dichlorobenzene 641.4
    ethyl lactate 227.49
    propylene carbonate 658.05
    n-methylformamide 459.24
    2-pentanol 388.21
    n-pentane 154.42
    1-propoxy-2-propanol 496.53
    1-methoxy-2-propyl acetate 447.12
    2-(2-methoxypropoxy) propanol 342.53
    mesitylene 317.25
    ε-caprolactone 633.82
    p-cymene 229.87
    epichlorohydrin 1108.7
    1,1,1-trichloroethane 1179.99
    2-aminoethanol 373.86
    morpholine-4-carbaldehyde 675.74
    sulfolane 739.55
    2,2,4-trimethylpentane 76.41
    2-methyltetrahydrofuran 847.49
    n-hexyl acetate 379.63
    isooctane 91.31
    2-(2-butoxyethoxy)ethanol 471.4
    sec-butyl acetate 259.54
    tert-butyl acetate 401.68
    decalin 108.14
    glycerin 349.88
    diglyme 900.75
    acrylic acid 412.35
    isopropyl myristate 191.34
    n-butyric acid 669.43
    acetyl acetate 456.55
    di(2-ethylhexyl) phthalate 178.43
    ethyl propionate 318.67
    nitromethane 736.44
    1,2-diethoxyethane 478.62
    benzonitrile 612.63
    trioctyl phosphate 136.89
    1-bromopropane 739.18
    gamma-valerolactone 909.97
    n-decanol 180.2
    triethyl phosphate 176.77
    4-methyl-2-pentanol 278.13
    propionitrile 716.8
    vinylene carbonate 689.02
    1,1,2-trichlorotrifluoroethane 676.67
    DMS 296.46
    cumene 212.12
    2-octanol 172.61
    2-hexanone 306.4
    octyl acetate 221.49
    limonene 280.21
    1,2-dimethoxyethane 735.48
    ethyl orthosilicate 174.57
    tributyl phosphate 154.16
    diacetone alcohol 371.49
    N,N-dimethylaniline 283.25
    acrylonitrile 767.6
    aniline 565.9
    1,3-propanediol 522.82
    bromobenzene 921.34
    dibromomethane 1648.56
    1,1,2,2-tetrachloroethane 1261.99
    2-methyl-cyclohexyl acetate 280.83
    tetrabutyl urea 171.78
    diisobutyl methanol 221.44
    2-phenylethanol 394.06
    styrene 349.04
    dioctyl adipate 232.07
    dimethyl sulfate 301.62
    ethyl butyrate 372.51
    methyl lactate 276.58
    butyl lactate 218.16
    diethyl carbonate 271.28
    propanediol butyl ether 341.94
    triethyl orthoformate 269.83
    p-tert-butyltoluene 216.69
    methyl 4-tert-butylbenzoate 342.73
    morpholine 1089.68
    tert-butylamine 455.34
    n-dodecanol 147.8
    dimethoxymethane 656.86
    ethylene carbonate 619.77
    cyrene 300.02
    2-ethoxyethyl acetate 341.22
    2-ethylhexyl acetate 324.49
    1,2,4-trichlorobenzene 639.61
    4-methylpyridine 822.52
    dibutyl ether 297.42
    2,6-dimethyl-4-heptanol 221.44
    DEF 396.2
    dimethyl isosorbide 517.0
    tetrachloroethylene 883.49
    eugenol 327.64
    triacetin 352.92
    span 80 303.6
    1,4-butanediol 238.94
    1,1-dichloroethane 1227.74
    2-methyl-1-pentanol 272.73
    methyl formate 443.01
    2-methyl-1-butanol 403.0
    n-decane 82.35
    butyronitrile 744.71
    3,7-dimethyl-1-octanol 252.42
    1-chlorooctane 228.82
    1-chlorotetradecane 112.01
    n-nonane 82.16
    undecane 65.31
    tert-butylcyclohexane 93.23
    cyclooctane 125.77
    cyclopentanol 558.06
    tetrahydropyran 1064.03
    tert-amyl methyl ether 283.82
    2,5,8-trioxanonane 551.5
    1-hexene 230.2
    2-isopropoxyethanol 361.1
    2,2,2-trifluoroethanol 292.78
    methyl butyrate 389.39

    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