4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, formate

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  • Identifiers

    CAS number
    68683-22-7

    Molecular formula
    C11H14O2

    SMILES
    C1CC2CC1C3C2C(C=C3)OC=O

    Safety labels

  • Odor profile

    Fragrance
    Green 81.61%
    Woody 71.58%
    Herbal 55.35%
    Fruity 50.19%
    Oily 44.48%
    Fresh 37.08%
    Floral 36.02%
    Balsamic 32.71%
    Spicy 28.16%
    Sweet 26.81%

     

    Flavor
    Bitter 57.67%
    Alkaline 21.12%
    Shrimp 20.85%
    Cedarleaf 20.79%
    Lovage 19.61%
    Cereal 19.54%
    Oriental 19.47%
    Nitrile 19.47%
    Sweet-like 19.39%
    Terpentine 19.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.14 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    237°C

    Flash point

    • 94.31 ˚C est.

  • Synonyms

    • 68683-22-7
    • Tricyclo(5.2.1.02,6)dec-3-enyl formate
    • EINECS 272-067-6
    • 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, formate
    • RefChem:96768
    • 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl formate
    • 3-tricyclo[5.2.1.02,6]dec-4-enyl formate
    • Tricyclo(5.2,1.02.6)-3-decenyl formate
    • DNJXQUGTFJIYHQ-UHFFFAOYSA-N
    • NS00012541
    • 68683-22-7

  • Applications

    4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, formate (CAS 68683-22-7) is used primarily as a fragrance intermediate and odorant in perfumery, where its bicyclic framework contributes distinctive woody and resinous notes and it can function as a fixative in formulations. It also serves as a stereochemically defined building block in pharmaceutical and agrochemical synthesis, enabling access to chiral scaffolds through subsequent transformations. In cosmetics and personal care, it may be included as a fragrance component within permitted formulation limits. In industrial manufacturing, it is encountered as a specialty chemical intermediate for the synthesis of polymers, coatings, and inks, or as a precursor to more complex functional molecules. It may also be found in cleaning products as a fragrance additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 473.07
    methanol 592.23
    isopropanol 421.7
    water 3.09
    ethyl acetate 1073.85
    n-propanol 428.58
    acetone 1599.74
    n-butanol 357.63
    acetonitrile 932.11
    DMF 1175.52
    toluene 605.48
    isobutanol 320.76
    1,4-dioxane 1374.25
    methyl acetate 974.06
    THF 2246.59
    2-butanone 1092.66
    n-pentanol 189.04
    sec-butanol 293.78
    n-hexane 16.2
    ethylene glycol 198.82
    NMP 1053.66
    cyclohexane 57.59
    DMSO 1847.01
    n-butyl acetate 442.63
    n-octanol 99.5
    chloroform 2430.29
    n-propyl acetate 465.06
    acetic acid 719.7
    dichloromethane 2697.09
    cyclohexanone 1220.3
    propylene glycol 205.99
    isopropyl acetate 622.87
    DMAc 643.71
    2-ethoxyethanol 438.94
    isopentanol 376.66
    n-heptane 15.44
    ethyl formate 595.26
    1,2-dichloroethane 1829.88
    n-hexanol 234.87
    2-methoxyethanol 931.53
    isobutyl acetate 282.07
    tetrachloromethane 279.11
    n-pentyl acetate 234.39
    transcutol 2466.76
    n-heptanol 104.01
    ethylbenzene 200.22
    MIBK 547.85
    2-propoxyethanol 546.64
    tert-butanol 414.34
    MTBE 446.45
    2-butoxyethanol 288.38
    propionic acid 541.12
    o-xylene 292.86
    formic acid 435.92
    diethyl ether 537.81
    m-xylene 387.79
    p-xylene 246.35
    chlorobenzene 893.59
    dimethyl carbonate 555.07
    n-octane 7.23
    formamide 814.32
    cyclopentanone 1973.53
    2-pentanone 908.75
    anisole 514.77
    cyclopentyl methyl ether 890.87
    gamma-butyrolactone 2102.23
    1-methoxy-2-propanol 702.83
    pyridine 1335.61
    3-pentanone 642.14
    furfural 1658.24
    n-dodecane 6.75
    diethylene glycol 530.05
    diisopropyl ether 180.77
    tert-amyl alcohol 291.87
    acetylacetone 1180.81
    n-hexadecane 8.3
    acetophenone 461.96
    methyl propionate 863.5
    isopentyl acetate 401.39
    trichloroethylene 3482.14
    n-nonanol 89.07
    cyclohexanol 395.49
    benzyl alcohol 377.83
    2-ethylhexanol 128.14
    isooctanol 95.51
    dipropyl ether 175.23
    1,2-dichlorobenzene 737.58
    ethyl lactate 212.45
    propylene carbonate 996.62
    n-methylformamide 947.73
    2-pentanol 248.18
    n-pentane 22.78
    1-propoxy-2-propanol 347.33
    1-methoxy-2-propyl acetate 574.33
    2-(2-methoxypropoxy) propanol 332.53
    mesitylene 226.12
    ε-caprolactone 934.44
    p-cymene 114.53
    epichlorohydrin 2714.65
    1,1,1-trichloroethane 1257.64
    2-aminoethanol 306.68
    morpholine-4-carbaldehyde 1091.48
    sulfolane 1829.21
    2,2,4-trimethylpentane 20.23
    2-methyltetrahydrofuran 1326.76
    n-hexyl acetate 343.18
    isooctane 21.32
    2-(2-butoxyethoxy)ethanol 480.65
    sec-butyl acetate 321.56
    tert-butyl acetate 545.63
    decalin 33.24
    glycerin 327.73
    diglyme 968.72
    acrylic acid 563.52
    isopropyl myristate 111.71
    n-butyric acid 687.52
    acetyl acetate 663.61
    di(2-ethylhexyl) phthalate 132.31
    ethyl propionate 415.35
    nitromethane 1813.21
    1,2-diethoxyethane 533.01
    benzonitrile 620.72
    trioctyl phosphate 87.11
    1-bromopropane 571.39
    gamma-valerolactone 1864.7
    n-decanol 66.2
    triethyl phosphate 137.93
    4-methyl-2-pentanol 180.98
    propionitrile 578.74
    vinylene carbonate 964.22
    1,1,2-trichlorotrifluoroethane 1149.4
    DMS 498.96
    cumene 128.88
    2-octanol 70.26
    2-hexanone 426.71
    octyl acetate 140.92
    limonene 140.94
    1,2-dimethoxyethane 725.47
    ethyl orthosilicate 125.6
    tributyl phosphate 125.03
    diacetone alcohol 556.93
    N,N-dimethylaniline 260.34
    acrylonitrile 885.39
    aniline 654.18
    1,3-propanediol 466.31
    bromobenzene 947.82
    dibromomethane 1418.22
    1,1,2,2-tetrachloroethane 2052.21
    2-methyl-cyclohexyl acetate 220.19
    tetrabutyl urea 138.63
    diisobutyl methanol 94.23
    2-phenylethanol 357.64
    styrene 266.49
    dioctyl adipate 172.3
    dimethyl sulfate 681.91
    ethyl butyrate 303.41
    methyl lactate 390.96
    butyl lactate 229.28
    diethyl carbonate 224.55
    propanediol butyl ether 323.37
    triethyl orthoformate 193.27
    p-tert-butyltoluene 106.74
    methyl 4-tert-butylbenzoate 294.64
    morpholine 1300.1
    tert-butylamine 213.16
    n-dodecanol 49.85
    dimethoxymethane 1011.51
    ethylene carbonate 798.07
    cyrene 320.23
    2-ethoxyethyl acetate 497.84
    2-ethylhexyl acetate 286.5
    1,2,4-trichlorobenzene 879.84
    4-methylpyridine 1060.57
    dibutyl ether 144.28
    2,6-dimethyl-4-heptanol 94.23
    DEF 674.32
    dimethyl isosorbide 590.13
    tetrachloroethylene 1262.44
    eugenol 291.86
    triacetin 409.51
    span 80 238.32
    1,4-butanediol 152.85
    1,1-dichloroethane 1494.47
    2-methyl-1-pentanol 193.88
    methyl formate 892.51
    2-methyl-1-butanol 280.51
    n-decane 10.83
    butyronitrile 492.91
    3,7-dimethyl-1-octanol 132.06
    1-chlorooctane 77.2
    1-chlorotetradecane 28.33
    n-nonane 9.74
    undecane 8.32
    tert-butylcyclohexane 27.25
    cyclooctane 23.84
    cyclopentanol 501.16
    tetrahydropyran 1093.51
    tert-amyl methyl ether 275.04
    2,5,8-trioxanonane 572.41
    1-hexene 82.66
    2-isopropoxyethanol 302.43
    2,2,2-trifluoroethanol 413.22
    methyl butyrate 506.86

    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