4,7-Methano-1H-indenemethanol, octahydro-, acetate

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  • Identifiers

    CAS number
    30772-69-1

    Molecular formula
    C13H20O2

    SMILES
    CC(=O)OCC1CCC2C1C3CCC2C3

  • Odor profile

    Fragrance
    Fruity 83.37%
    Floral 73.55%
    Woody 62.56%
    Herbal 49.39%
    Green 49.01%
    Sweet 42.25%
    Fresh 39.47%
    Rose 33.65%
    Jasmin 32.33%
    Balsamic 31.2%

     

    Flavor
    Fruity 55.06%
    Fruit 39.39%
    Sweet 37.76%
    Bitter 30.38%
    Rose 30.06%
    Herbal 27.92%
    Plant 23.35%
    Tropical 22.94%
    Mild 22.74%
    Green 22.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.06 (weak base)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    291°C

    Flash point

    • 111.15 ˚C est.

  • Synonyms

    • 30772-69-1
    • Octahydro-4,7-methano-1H-indenemethyl acetate
    • EINECS 250-331-1
    • 4,7-Methano-1H-indenemethanol, octahydro-, acetate
    • octahydro-1h-4,7-methanoinden-1-ylmethyl acetate
    • 64644-35-5
    • SCHEMBL20471157
    • DTXSID90794466
    • TXFBASMXWNIAGS-UHFFFAOYSA-N
    • Octahydro-4,7-methano-1H-indene-1(or 2)-methanol, acetate
    • NS00012807
    • 250-331-1
    • Mysore acetate

  • Applications

    4,7-Methano-1H-indenemethanol, octahydro-, acetate (CAS 30772-69-1) is typically used as a specialty intermediate in organic synthesis, serving as a chiral building block and a precursor for pharmaceutical and fine-chemical derivatives; in fragrance and personal care, it can function as a precursor to odorants or as a fixative component in fragrance formulations; in coatings and inks, it may be used as a specialty intermediate for resin modification and formulation development; in the polymer and plastics sector, it provides a rigid bicyclic motif useful for advanced polymer design; additional applications may be considered subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2089.89
    methanol 2825.59
    isopropanol 2254.29
    water 6.69
    ethyl acetate 3721.48
    n-propanol 1933.5
    acetone 4303.61
    n-butanol 1707.46
    acetonitrile 2974.92
    DMF 2591.87
    toluene 1824.54
    isobutanol 1432.65
    1,4-dioxane 6125.2
    methyl acetate 2421.87
    THF 5658.13
    2-butanone 2288.38
    n-pentanol 627.81
    sec-butanol 1066.08
    n-hexane 73.08
    ethylene glycol 469.14
    NMP 1107.33
    cyclohexane 296.8
    DMSO 2272.81
    n-butyl acetate 1226.14
    n-octanol 206.87
    chloroform 7965.72
    n-propyl acetate 1084.0
    acetic acid 2034.48
    dichloromethane 5766.47
    cyclohexanone 2654.06
    propylene glycol 534.55
    isopropyl acetate 2589.65
    DMAc 1324.9
    2-ethoxyethanol 1362.72
    isopentanol 1587.18
    n-heptane 36.13
    ethyl formate 1647.91
    1,2-dichloroethane 3856.5
    n-hexanol 683.47
    2-methoxyethanol 3066.64
    isobutyl acetate 773.83
    tetrachloromethane 980.35
    n-pentyl acetate 529.23
    transcutol 5548.33
    n-heptanol 243.86
    ethylbenzene 459.79
    MIBK 1493.43
    2-propoxyethanol 1654.59
    tert-butanol 2249.83
    MTBE 2646.73
    2-butoxyethanol 721.02
    propionic acid 1398.15
    o-xylene 649.66
    formic acid 856.4
    diethyl ether 3209.92
    m-xylene 975.44
    p-xylene 560.6
    chlorobenzene 1981.29
    dimethyl carbonate 1130.31
    n-octane 16.01
    formamide 1400.1
    cyclopentanone 3052.64
    2-pentanone 2330.17
    anisole 1227.46
    cyclopentyl methyl ether 2316.58
    gamma-butyrolactone 3425.99
    1-methoxy-2-propanol 2305.11
    pyridine 3233.97
    3-pentanone 1486.72
    furfural 2555.58
    n-dodecane 14.95
    diethylene glycol 1423.71
    diisopropyl ether 852.41
    tert-amyl alcohol 918.13
    acetylacetone 2997.2
    n-hexadecane 18.44
    acetophenone 800.09
    methyl propionate 2008.15
    isopentyl acetate 1120.27
    trichloroethylene 6454.49
    n-nonanol 190.79
    cyclohexanol 1381.06
    benzyl alcohol 768.92
    2-ethylhexanol 306.34
    isooctanol 213.71
    dipropyl ether 532.95
    1,2-dichlorobenzene 1390.9
    ethyl lactate 407.51
    propylene carbonate 1847.98
    n-methylformamide 2143.84
    2-pentanol 1009.33
    n-pentane 116.03
    1-propoxy-2-propanol 945.5
    1-methoxy-2-propyl acetate 1630.09
    2-(2-methoxypropoxy) propanol 635.89
    mesitylene 552.88
    ε-caprolactone 2246.74
    p-cymene 198.98
    epichlorohydrin 4544.2
    1,1,1-trichloroethane 3700.85
    2-aminoethanol 912.84
    morpholine-4-carbaldehyde 2181.34
    sulfolane 2051.06
    2,2,4-trimethylpentane 60.8
    2-methyltetrahydrofuran 3314.88
    n-hexyl acetate 730.88
    isooctane 71.0
    2-(2-butoxyethoxy)ethanol 1048.21
    sec-butyl acetate 905.88
    tert-butyl acetate 2014.22
    decalin 89.97
    glycerin 773.97
    diglyme 2263.08
    acrylic acid 1170.89
    isopropyl myristate 236.85
    n-butyric acid 2393.64
    acetyl acetate 2184.95
    di(2-ethylhexyl) phthalate 226.04
    ethyl propionate 946.8
    nitromethane 4160.22
    1,2-diethoxyethane 1775.37
    benzonitrile 1329.09
    trioctyl phosphate 142.4
    1-bromopropane 1902.31
    gamma-valerolactone 3907.64
    n-decanol 136.61
    triethyl phosphate 273.0
    4-methyl-2-pentanol 628.05
    propionitrile 2062.39
    vinylene carbonate 1765.47
    1,1,2-trichlorotrifluoroethane 2231.85
    DMS 854.31
    cumene 268.9
    2-octanol 153.45
    2-hexanone 877.69
    octyl acetate 270.44
    limonene 257.53
    1,2-dimethoxyethane 2577.31
    ethyl orthosilicate 288.75
    tributyl phosphate 218.26
    diacetone alcohol 1447.77
    N,N-dimethylaniline 529.76
    acrylonitrile 2322.7
    aniline 2018.73
    1,3-propanediol 1620.0
    bromobenzene 2082.84
    dibromomethane 3473.77
    1,1,2,2-tetrachloroethane 4954.45
    2-methyl-cyclohexyl acetate 422.89
    tetrabutyl urea 221.91
    diisobutyl methanol 243.7
    2-phenylethanol 708.17
    styrene 663.32
    dioctyl adipate 305.83
    dimethyl sulfate 1035.98
    ethyl butyrate 716.18
    methyl lactate 740.15
    butyl lactate 421.88
    diethyl carbonate 500.12
    propanediol butyl ether 578.49
    triethyl orthoformate 511.62
    p-tert-butyltoluene 208.35
    methyl 4-tert-butylbenzoate 525.68
    morpholine 5446.86
    tert-butylamine 1289.74
    n-dodecanol 101.86
    dimethoxymethane 3036.91
    ethylene carbonate 1832.97
    cyrene 452.21
    2-ethoxyethyl acetate 1130.88
    2-ethylhexyl acetate 760.41
    1,2,4-trichlorobenzene 1603.66
    4-methylpyridine 2936.1
    dibutyl ether 416.47
    2,6-dimethyl-4-heptanol 243.7
    DEF 1601.97
    dimethyl isosorbide 994.62
    tetrachloroethylene 3082.13
    eugenol 494.13
    triacetin 719.81
    span 80 446.47
    1,4-butanediol 409.06
    1,1-dichloroethane 4457.52
    2-methyl-1-pentanol 546.09
    methyl formate 1596.68
    2-methyl-1-butanol 1022.7
    n-decane 25.85
    butyronitrile 2011.09
    3,7-dimethyl-1-octanol 280.11
    1-chlorooctane 155.19
    1-chlorotetradecane 62.1
    n-nonane 22.62
    undecane 18.89
    tert-butylcyclohexane 75.69
    cyclooctane 83.22
    cyclopentanol 1403.59
    tetrahydropyran 4665.64
    tert-amyl methyl ether 1029.56
    2,5,8-trioxanonane 1188.6
    1-hexene 330.03
    2-isopropoxyethanol 928.48
    2,2,2-trifluoroethanol 997.57
    methyl butyrate 1175.23

    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