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

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  • Identifiers

    CAS number
    68039-78-1

    Molecular formula
    C12H18O2

    SMILES
    C1CC2CC1C3C2C(CC3)COC=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 62.89%
    Floral 61.68%
    Green 56.78%
    Woody 54.88%
    Fresh 42.52%
    Herbal 40.83%
    Oily 35.86%
    Sweet 35.67%
    Amber 29.47%
    Aldehydic 28.68%

     

    Flavor
    Fruity 40.37%
    Bitter 28.91%
    Fruit 27.73%
    Sweet 25.55%
    Floral 22.54%
    Rose 22.21%
    Alkaline 21.81%
    Plant 21.49%
    Shrimp 21.41%
    Herbal 20.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.04 (weak base)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    279°C

    Flash point

    • 101.9 ˚C est.

  • Synonyms

    • 68039-78-1
    • 4,7-Methano-1H-indenemethanol, octahydro-, formate
    • DTXSID501015041
    • EINECS 268-286-1
    • 3(4)-Hydroxymethyltricyclo(5.2.1.02,6)decane formate
    • RefChem:96766
    • DTXCID401473375
    • (octahydro-1H-4,7-methanoinden-1-yl)methyl formate
    • Octahydro-4,7-methano-1H-indenemethyl formate
    • JJOPSNLHZOGEIH-UHFFFAOYSA-N
    • NS00012808
    • 68039-78-1

  • Applications

    4,7-Methano-1H-indenemethanol, octahydro-, formate (CAS 68039-78-1) is primarily encountered as a specialty chemical used as an intermediate and as a fragrance-related component in certain formulations. In perfumery and cosmetics, it can serve as a scent ingredient or fixative, contributing to complex fragrance profiles. It is commonly evaluated as a chiral or bicyclic building block in organic synthesis, providing a versatile intermediate for the preparation of other specialty chemicals. In industrial manufacturing, it may act as a precursor for materials used in coatings, inks, or specialty polymers where the rigid bicyclic framework can influence properties. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1278.51
    methanol 1841.92
    isopropanol 1143.06
    water 4.65
    ethyl acetate 3436.26
    n-propanol 1134.24
    acetone 4206.62
    n-butanol 1030.17
    acetonitrile 2319.21
    DMF 2707.88
    toluene 1430.86
    isobutanol 761.96
    1,4-dioxane 3933.44
    methyl acetate 2220.58
    THF 5949.2
    2-butanone 2253.45
    n-pentanol 366.6
    sec-butanol 568.04
    n-hexane 31.19
    ethylene glycol 399.89
    NMP 1501.21
    cyclohexane 138.91
    DMSO 3314.27
    n-butyl acetate 1092.56
    n-octanol 129.38
    chloroform 6032.99
    n-propyl acetate 1038.29
    acetic acid 1927.88
    dichloromethane 5877.5
    cyclohexanone 2779.26
    propylene glycol 351.06
    isopropyl acetate 2179.61
    DMAc 1089.54
    2-ethoxyethanol 1117.75
    isopentanol 967.3
    n-heptane 22.67
    ethyl formate 1688.13
    1,2-dichloroethane 4439.43
    n-hexanol 407.94
    2-methoxyethanol 2845.93
    isobutyl acetate 630.21
    tetrachloromethane 760.25
    n-pentyl acetate 477.52
    transcutol 5097.41
    n-heptanol 157.66
    ethylbenzene 348.37
    MIBK 1405.55
    2-propoxyethanol 1311.9
    tert-butanol 1214.61
    MTBE 1480.8
    2-butoxyethanol 592.8
    propionic acid 1225.3
    o-xylene 533.36
    formic acid 1007.99
    diethyl ether 1980.25
    m-xylene 789.02
    p-xylene 409.52
    chlorobenzene 2012.18
    dimethyl carbonate 1345.93
    n-octane 9.04
    formamide 2073.03
    cyclopentanone 4182.72
    2-pentanone 2348.61
    anisole 1136.25
    cyclopentyl methyl ether 2276.54
    gamma-butyrolactone 4929.99
    1-methoxy-2-propanol 2105.88
    pyridine 3035.37
    3-pentanone 1418.11
    furfural 3292.81
    n-dodecane 7.45
    diethylene glycol 1194.02
    diisopropyl ether 548.8
    tert-amyl alcohol 550.08
    acetylacetone 3494.1
    n-hexadecane 9.46
    acetophenone 794.6
    methyl propionate 2100.1
    isopentyl acetate 987.04
    trichloroethylene 7592.89
    n-nonanol 120.72
    cyclohexanol 955.3
    benzyl alcohol 697.56
    2-ethylhexanol 214.61
    isooctanol 147.63
    dipropyl ether 402.08
    1,2-dichlorobenzene 1511.97
    ethyl lactate 408.96
    propylene carbonate 2343.8
    n-methylformamide 2546.56
    2-pentanol 585.7
    n-pentane 53.56
    1-propoxy-2-propanol 775.15
    1-methoxy-2-propyl acetate 1623.48
    2-(2-methoxypropoxy) propanol 519.04
    mesitylene 455.3
    ε-caprolactone 2244.9
    p-cymene 180.02
    epichlorohydrin 6134.35
    1,1,1-trichloroethane 3387.81
    2-aminoethanol 657.99
    morpholine-4-carbaldehyde 2178.41
    sulfolane 3508.57
    2,2,4-trimethylpentane 33.24
    2-methyltetrahydrofuran 3076.81
    n-hexyl acetate 590.19
    isooctane 39.75
    2-(2-butoxyethoxy)ethanol 850.78
    sec-butyl acetate 740.53
    tert-butyl acetate 1877.71
    decalin 52.79
    glycerin 640.91
    diglyme 2074.23
    acrylic acid 1239.7
    isopropyl myristate 178.48
    n-butyric acid 2119.05
    acetyl acetate 2217.47
    di(2-ethylhexyl) phthalate 191.75
    ethyl propionate 989.27
    nitromethane 4928.49
    1,2-diethoxyethane 1383.46
    benzonitrile 1209.17
    trioctyl phosphate 126.84
    1-bromopropane 1378.48
    gamma-valerolactone 4640.54
    n-decanol 84.05
    triethyl phosphate 264.26
    4-methyl-2-pentanol 404.06
    propionitrile 1568.98
    vinylene carbonate 2073.96
    1,1,2-trichlorotrifluoroethane 2549.91
    DMS 906.59
    cumene 197.59
    2-octanol 93.73
    2-hexanone 764.22
    octyl acetate 217.17
    limonene 227.87
    1,2-dimethoxyethane 1963.73
    ethyl orthosilicate 256.92
    tributyl phosphate 198.97
    diacetone alcohol 1482.83
    N,N-dimethylaniline 450.16
    acrylonitrile 2184.72
    aniline 1657.03
    1,3-propanediol 1293.52
    bromobenzene 2087.23
    dibromomethane 2974.96
    1,1,2,2-tetrachloroethane 4895.16
    2-methyl-cyclohexyl acetate 397.51
    tetrabutyl urea 198.72
    diisobutyl methanol 174.85
    2-phenylethanol 638.25
    styrene 524.17
    dioctyl adipate 268.91
    dimethyl sulfate 1427.8
    ethyl butyrate 723.81
    methyl lactate 873.2
    butyl lactate 416.31
    diethyl carbonate 508.17
    propanediol butyl ether 463.58
    triethyl orthoformate 462.67
    p-tert-butyltoluene 180.16
    methyl 4-tert-butylbenzoate 508.89
    morpholine 3845.84
    tert-butylamine 615.54
    n-dodecanol 61.62
    dimethoxymethane 3282.58
    ethylene carbonate 2022.43
    cyrene 473.42
    2-ethoxyethyl acetate 1069.22
    2-ethylhexyl acetate 641.1
    1,2,4-trichlorobenzene 1678.9
    4-methylpyridine 2504.43
    dibutyl ether 282.9
    2,6-dimethyl-4-heptanol 174.85
    DEF 1585.52
    dimethyl isosorbide 1066.18
    tetrachloroethylene 3142.48
    eugenol 455.1
    triacetin 686.2
    span 80 358.34
    1,4-butanediol 295.4
    1,1-dichloroethane 3795.05
    2-methyl-1-pentanol 343.93
    methyl formate 2095.9
    2-methyl-1-butanol 614.85
    n-decane 13.74
    butyronitrile 1395.77
    3,7-dimethyl-1-octanol 196.6
    1-chlorooctane 106.66
    1-chlorotetradecane 36.75
    n-nonane 12.24
    undecane 9.77
    tert-butylcyclohexane 42.3
    cyclooctane 47.71
    cyclopentanol 1132.79
    tetrahydropyran 3265.09
    tert-amyl methyl ether 687.02
    2,5,8-trioxanonane 1046.36
    1-hexene 168.81
    2-isopropoxyethanol 680.73
    2,2,2-trifluoroethanol 1074.48
    methyl butyrate 1192.48

    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