4,7-Methano-1H-indene-2-methanol, octahydro-, 2-formate

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  • Identifiers

    CAS number
    64644-32-2

    Molecular formula
    C12H18O2

    SMILES
    C1CC2CC1C3C2CC(C3)COC=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 61.06%
    Floral 59.42%
    Green 54.43%
    Woody 51.24%
    Fresh 41.96%
    Herbal 36.88%
    Oily 34.38%
    Sweet 34.25%
    Amber 29.42%
    Aldehydic 28.78%

     

    Flavor
    Fruity 40.95%
    Bitter 28.84%
    Fruit 27.97%
    Sweet 25.46%
    Rose 22.8%
    Floral 22.46%
    Alkaline 21.72%
    Plant 21.54%
    Shrimp 21.35%
    Herbal 20.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.81 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    278°C

    Flash point

    • 103.17 ˚C est.

  • Synonyms

    • 4,7-Methano-1H-indene-2-methanol, octahydro-, formate
    • 64644-32-2
    • EINECS 264-990-8
    • Tricyclo(5.2.1.02,6)decane-4-methanol, formate
    • 4,7-Methano-1H-indene-2-methanol, octahydro-, 2-formate
    • DTXSID60867090
    • RefChem:96760
    • DTXCID30815301
    • 2-melozol formate
    • Octahydro-4,7-methano-1H-indene-2-methyl formate
    • SCHEMBL26125617
    • IHJLODXRSVOCFK-UHFFFAOYSA-N
    • NS00012809
    • (Octahydro-1H-4,7-methanoinden-2-yl)methyl formate
    • 64644-32-2

  • Applications

    4,7-Methano-1H-indene-2-methanol, octahydro-, 2-formate (CAS 64644-32-2) is primarily used as an organic synthesis intermediate and a potential chiral building block in pharmaceutical and agrochemical research. Its formate ester functionality and rigid bicyclic framework make it a candidate precursor for the preparation of more complex aroma chemicals, enabling applications in fragrance and flavor chemistry. In industrial manufacturing, it is often evaluated for use in synthetic routes to specialty intermediates and functional materials, with handling and formulation governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1574.49
    methanol 2037.57
    isopropanol 1530.62
    water 7.11
    ethyl acetate 3994.03
    n-propanol 1248.98
    acetone 4590.15
    n-butanol 1186.05
    acetonitrile 2375.99
    DMF 2930.94
    toluene 896.03
    isobutanol 881.65
    1,4-dioxane 4452.6
    methyl acetate 2644.5
    THF 5954.38
    2-butanone 2332.15
    n-pentanol 404.08
    sec-butanol 628.49
    n-hexane 26.05
    ethylene glycol 513.36
    NMP 935.47
    cyclohexane 95.53
    DMSO 2828.04
    n-butyl acetate 939.24
    n-octanol 133.21
    chloroform 5338.44
    n-propyl acetate 1083.39
    acetic acid 2028.02
    dichloromethane 4635.33
    cyclohexanone 2202.44
    propylene glycol 449.95
    isopropyl acetate 2685.17
    DMAc 1220.42
    2-ethoxyethanol 1402.35
    isopentanol 1126.55
    n-heptane 17.76
    ethyl formate 1697.25
    1,2-dichloroethane 3745.17
    n-hexanol 384.21
    2-methoxyethanol 3560.18
    isobutyl acetate 696.32
    tetrachloromethane 609.12
    n-pentyl acetate 402.15
    transcutol 4816.18
    n-heptanol 157.36
    ethylbenzene 256.55
    MIBK 1574.28
    2-propoxyethanol 1472.2
    tert-butanol 1680.76
    MTBE 1891.26
    2-butoxyethanol 600.04
    propionic acid 1269.7
    o-xylene 375.9
    formic acid 979.57
    diethyl ether 2340.81
    m-xylene 589.07
    p-xylene 319.07
    chlorobenzene 1342.45
    dimethyl carbonate 1438.47
    n-octane 9.89
    formamide 1986.39
    cyclopentanone 3512.59
    2-pentanone 2569.48
    anisole 980.06
    cyclopentyl methyl ether 1966.62
    gamma-butyrolactone 4021.42
    1-methoxy-2-propanol 2813.6
    pyridine 2201.87
    3-pentanone 1421.8
    furfural 2573.97
    n-dodecane 9.09
    diethylene glycol 1450.2
    diisopropyl ether 609.03
    tert-amyl alcohol 661.99
    acetylacetone 3913.61
    n-hexadecane 11.08
    acetophenone 691.37
    methyl propionate 2349.81
    isopentyl acetate 884.1
    trichloroethylene 5946.33
    n-nonanol 124.37
    cyclohexanol 834.13
    benzyl alcohol 622.55
    2-ethylhexanol 184.72
    isooctanol 152.52
    dipropyl ether 380.66
    1,2-dichlorobenzene 1088.92
    ethyl lactate 460.32
    propylene carbonate 1983.31
    n-methylformamide 2557.65
    2-pentanol 700.98
    n-pentane 44.91
    1-propoxy-2-propanol 793.54
    1-methoxy-2-propyl acetate 1620.94
    2-(2-methoxypropoxy) propanol 529.03
    mesitylene 364.9
    ε-caprolactone 1898.37
    p-cymene 134.31
    epichlorohydrin 5546.1
    1,1,1-trichloroethane 2972.4
    2-aminoethanol 797.02
    morpholine-4-carbaldehyde 1962.12
    sulfolane 2397.67
    2,2,4-trimethylpentane 32.06
    2-methyltetrahydrofuran 2739.13
    n-hexyl acetate 530.04
    isooctane 42.73
    2-(2-butoxyethoxy)ethanol 866.89
    sec-butyl acetate 836.35
    tert-butyl acetate 2282.98
    decalin 39.06
    glycerin 832.14
    diglyme 2079.61
    acrylic acid 1168.98
    isopropyl myristate 182.33
    n-butyric acid 2511.95
    acetyl acetate 2573.33
    di(2-ethylhexyl) phthalate 175.42
    ethyl propionate 1025.24
    nitromethane 5185.3
    1,2-diethoxyethane 1293.88
    benzonitrile 876.42
    trioctyl phosphate 116.61
    1-bromopropane 1252.07
    gamma-valerolactone 4084.11
    n-decanol 91.83
    triethyl phosphate 249.14
    4-methyl-2-pentanol 513.44
    propionitrile 1630.52
    vinylene carbonate 1754.47
    1,1,2-trichlorotrifluoroethane 2448.18
    DMS 873.55
    cumene 158.73
    2-octanol 100.11
    2-hexanone 701.64
    octyl acetate 206.7
    limonene 165.73
    1,2-dimethoxyethane 2296.43
    ethyl orthosilicate 245.08
    tributyl phosphate 181.06
    diacetone alcohol 1798.1
    N,N-dimethylaniline 379.49
    acrylonitrile 2144.41
    aniline 1237.17
    1,3-propanediol 1664.01
    bromobenzene 1385.58
    dibromomethane 2399.5
    1,1,2,2-tetrachloroethane 4226.78
    2-methyl-cyclohexyl acetate 354.67
    tetrabutyl urea 174.23
    diisobutyl methanol 185.15
    2-phenylethanol 536.42
    styrene 379.84
    dioctyl adipate 249.97
    dimethyl sulfate 1410.81
    ethyl butyrate 639.54
    methyl lactate 998.05
    butyl lactate 372.7
    diethyl carbonate 479.69
    propanediol butyl ether 459.12
    triethyl orthoformate 435.96
    p-tert-butyltoluene 146.16
    methyl 4-tert-butylbenzoate 488.83
    morpholine 3975.46
    tert-butylamine 829.3
    n-dodecanol 69.58
    dimethoxymethane 3857.66
    ethylene carbonate 1820.51
    cyrene 442.24
    2-ethoxyethyl acetate 947.72
    2-ethylhexyl acetate 534.86
    1,2,4-trichlorobenzene 1152.62
    4-methylpyridine 1890.79
    dibutyl ether 270.97
    2,6-dimethyl-4-heptanol 185.15
    DEF 1624.13
    dimethyl isosorbide 941.51
    tetrachloroethylene 2565.6
    eugenol 445.76
    triacetin 660.96
    span 80 359.13
    1,4-butanediol 363.19
    1,1-dichloroethane 3548.31
    2-methyl-1-pentanol 346.23
    methyl formate 2143.25
    2-methyl-1-butanol 672.45
    n-decane 15.55
    butyronitrile 1426.28
    3,7-dimethyl-1-octanol 191.99
    1-chlorooctane 102.6
    1-chlorotetradecane 39.85
    n-nonane 13.48
    undecane 11.47
    tert-butylcyclohexane 35.63
    cyclooctane 33.85
    cyclopentanol 981.16
    tetrahydropyran 3161.39
    tert-amyl methyl ether 797.18
    2,5,8-trioxanonane 1020.6
    1-hexene 142.45
    2-isopropoxyethanol 862.85
    2,2,2-trifluoroethanol 1247.66
    methyl butyrate 1214.77

    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