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

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  • Identifiers

    CAS number
    64644-34-4

    Molecular formula
    C13H20O2

    SMILES
    CC(=O)OCC1CC2C3CCC(C3)C2C1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 81.88%
    Floral 72.63%
    Woody 59.36%
    Green 45.62%
    Herbal 44.4%
    Sweet 41.66%
    Fresh 39.2%
    Rose 33.85%
    Jasmin 30.55%
    Balsamic 30.06%

     

    Flavor
    Fruity 54.61%
    Fruit 39.43%
    Sweet 37.45%
    Bitter 30.58%
    Rose 30.53%
    Herbal 27.93%
    Plant 23.48%
    Green 23.41%
    Mild 22.97%
    Balsam 22.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.0 (neutral)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    288°C

    Flash point

    • 109.65 ˚C est.

  • Synonyms

    • DTXSID20867091
    • 64644-34-4
    • 4,7-Methano-1H-indene-2-methanol, octahydro-, 2-acetate
    • RefChem:96759
    • DTXCID90815302
    • 2-melozol acetate
    • SCHEMBL7718747
    • DOTCCDYHDBZAAY-UHFFFAOYSA-N
    • NS00012805
    • (Octahydro-1H-4,7-methanoinden-2-yl)methyl acetate
    • 64644-34-4

  • Applications

    4,7-Methano-1H-indene-2-methanol, octahydro-, 2-acetate (CAS 64644-34-4) is primarily used as a synthetic intermediate with applications in fragrance chemistry; in perfumery it functions as an odorant or fragrance precursor for bicyclic scent building blocks; in cosmetics and personal care it may serve as a fragrance component or scent precursor in formulations; in household products and cleaners it can be employed as a fragrance additive to impart character to products; in industrial manufacturing it provides a small-molecule building block for organic synthesis and may be used in niche studies for polymers or specialty chemicals; in coatings/inks it may be incorporated as a fragrance adjunct or processing aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2091.33
    methanol 2582.93
    isopropanol 2552.43
    water 5.39
    ethyl acetate 3887.79
    n-propanol 1740.48
    acetone 5111.1
    n-butanol 1580.63
    acetonitrile 3115.77
    DMF 3316.95
    toluene 1102.75
    isobutanol 1344.08
    1,4-dioxane 5562.6
    methyl acetate 2929.81
    THF 5879.34
    2-butanone 2750.75
    n-pentanol 628.69
    sec-butanol 1088.1
    n-hexane 54.9
    ethylene glycol 542.1
    NMP 956.45
    cyclohexane 156.72
    DMSO 2822.3
    n-butyl acetate 1144.2
    n-octanol 254.02
    chloroform 6690.43
    n-propyl acetate 1296.66
    acetic acid 1847.79
    dichloromethane 5168.1
    cyclohexanone 2352.11
    propylene glycol 715.43
    isopropyl acetate 2762.22
    DMAc 1676.07
    2-ethoxyethanol 1733.4
    isopentanol 1466.15
    n-heptane 30.81
    ethyl formate 1604.51
    1,2-dichloroethane 3329.47
    n-hexanol 597.5
    2-methoxyethanol 3678.27
    isobutyl acetate 924.58
    tetrachloromethane 707.29
    n-pentyl acetate 535.92
    transcutol 5831.51
    n-heptanol 249.47
    ethylbenzene 361.96
    MIBK 1575.91
    2-propoxyethanol 1813.83
    tert-butanol 2719.21
    MTBE 2873.04
    2-butoxyethanol 778.37
    propionic acid 1333.49
    o-xylene 481.16
    formic acid 689.04
    diethyl ether 2947.91
    m-xylene 692.28
    p-xylene 483.77
    chlorobenzene 1379.22
    dimethyl carbonate 1277.26
    n-octane 19.95
    formamide 1356.11
    cyclopentanone 3088.53
    2-pentanone 2443.85
    anisole 1189.56
    cyclopentyl methyl ether 2018.37
    gamma-butyrolactone 3277.24
    1-methoxy-2-propanol 3071.78
    pyridine 2405.04
    3-pentanone 1502.48
    furfural 2397.31
    n-dodecane 20.45
    diethylene glycol 1693.74
    diisopropyl ether 788.71
    tert-amyl alcohol 1102.74
    acetylacetone 3533.6
    n-hexadecane 24.87
    acetophenone 801.49
    methyl propionate 2235.58
    isopentyl acetate 1089.22
    trichloroethylene 5593.62
    n-nonanol 227.47
    cyclohexanol 1101.6
    benzyl alcohol 733.76
    2-ethylhexanol 279.39
    isooctanol 229.97
    dipropyl ether 512.36
    1,2-dichlorobenzene 1107.19
    ethyl lactate 511.59
    propylene carbonate 1840.5
    n-methylformamide 2276.76
    2-pentanol 1018.19
    n-pentane 81.99
    1-propoxy-2-propanol 1068.73
    1-methoxy-2-propyl acetate 1744.69
    2-(2-methoxypropoxy) propanol 749.63
    mesitylene 439.51
    ε-caprolactone 2023.6
    p-cymene 174.73
    epichlorohydrin 4758.64
    1,1,1-trichloroethane 3265.95
    2-aminoethanol 988.14
    morpholine-4-carbaldehyde 2249.41
    sulfolane 2069.97
    2,2,4-trimethylpentane 54.81
    2-methyltetrahydrofuran 3059.07
    n-hexyl acetate 810.02
    isooctane 66.75
    2-(2-butoxyethoxy)ethanol 1213.26
    sec-butyl acetate 1069.88
    tert-butyl acetate 2272.22
    decalin 67.15
    glycerin 946.24
    diglyme 2520.54
    acrylic acid 1067.86
    isopropyl myristate 283.03
    n-butyric acid 2277.32
    acetyl acetate 2292.69
    di(2-ethylhexyl) phthalate 238.15
    ethyl propionate 1111.55
    nitromethane 4388.35
    1,2-diethoxyethane 1847.14
    benzonitrile 1075.04
    trioctyl phosphate 162.43
    1-bromopropane 1542.41
    gamma-valerolactone 4101.11
    n-decanol 167.34
    triethyl phosphate 281.47
    4-methyl-2-pentanol 677.26
    propionitrile 1934.59
    vinylene carbonate 1729.24
    1,1,2-trichlorotrifluoroethane 2231.15
    DMS 969.43
    cumene 237.46
    2-octanol 180.17
    2-hexanone 950.03
    octyl acetate 329.37
    limonene 217.57
    1,2-dimethoxyethane 2873.03
    ethyl orthosilicate 291.92
    tributyl phosphate 237.37
    diacetone alcohol 1782.76
    N,N-dimethylaniline 492.8
    acrylonitrile 2257.4
    aniline 1406.45
    1,3-propanediol 1772.5
    bromobenzene 1454.78
    dibromomethane 2927.84
    1,1,2,2-tetrachloroethane 4353.09
    2-methyl-cyclohexyl acetate 429.8
    tetrabutyl urea 243.26
    diisobutyl methanol 253.37
    2-phenylethanol 634.94
    styrene 503.86
    dioctyl adipate 361.67
    dimethyl sulfate 1300.37
    ethyl butyrate 708.16
    methyl lactate 1005.45
    butyl lactate 472.33
    diethyl carbonate 502.52
    propanediol butyl ether 698.54
    triethyl orthoformate 508.76
    p-tert-butyltoluene 189.49
    methyl 4-tert-butylbenzoate 596.21
    morpholine 5054.2
    tert-butylamine 1407.14
    n-dodecanol 129.42
    dimethoxymethane 3462.8
    ethylene carbonate 1737.96
    cyrene 492.12
    2-ethoxyethyl acetate 1181.55
    2-ethylhexyl acetate 684.91
    1,2,4-trichlorobenzene 1279.02
    4-methylpyridine 2306.03
    dibutyl ether 479.78
    2,6-dimethyl-4-heptanol 253.37
    DEF 1689.25
    dimethyl isosorbide 1086.69
    tetrachloroethylene 2403.44
    eugenol 537.62
    triacetin 881.55
    span 80 514.05
    1,4-butanediol 502.09
    1,1-dichloroethane 4073.91
    2-methyl-1-pentanol 540.22
    methyl formate 1751.23
    2-methyl-1-butanol 976.79
    n-decane 33.99
    butyronitrile 1797.2
    3,7-dimethyl-1-octanol 328.4
    1-chlorooctane 188.4
    1-chlorotetradecane 78.26
    n-nonane 29.99
    undecane 25.51
    tert-butylcyclohexane 65.47
    cyclooctane 53.68
    cyclopentanol 1202.75
    tetrahydropyran 3749.13
    tert-amyl methyl ether 1151.11
    2,5,8-trioxanonane 1378.72
    1-hexene 282.15
    2-isopropoxyethanol 1147.97
    2,2,2-trifluoroethanol 1008.08
    methyl butyrate 1349.62

    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