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

  • Identifiers

    Molecular formula
    C12H16O2

    SMILES
    CC(=O)OC1=CCC2C1C3CCC2C3

  • Odor profile

    Fragrance
    Green 83.3%
    Woody 76.97%
    Herbal 68.96%
    Fruity 44.99%
    Fresh 40.97%
    Floral 39.81%
    Balsamic 39.22%
    Pine 34.75%
    Cedar 32.96%
    Spicy 31.78%

     

    Flavor
    Bitter 37.4%
    Fruity 33.72%
    Sweet 25.06%
    Fruit 22.33%
    Odorless 22.21%
    Fatty 20.89%
    Alkaline 20.67%
    Toffee 20.64%
    Plant 20.42%
    Orange blossom 20.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.5 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

    Flash point

    • 105.57 ˚C est.

  • Synonyms

    • Tricyclo(5.2.1.02,6)dec-3-enyl acetate
    • EINECS 259-367-2
    • 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate
    • SCHEMBL3505119
    • NS00019468
  • Applications

    4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate may serve as a fragrance ingredient and potential fixative in perfumery, as a fragrance component in cosmetics and personal care products, as an industrial chemical intermediate for the synthesis of specialty organic compounds, as a processing aid or additive in coatings and inks, and as a compatibility modifier or processing aid for certain polymers and plastics; these uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 528.4
    methanol 847.34
    isopropanol 661.42
    water 3.83
    ethyl acetate 556.98
    n-propanol 548.34
    acetone 868.38
    n-butanol 500.52
    acetonitrile 691.43
    DMF 970.64
    toluene 660.19
    isobutanol 458.78
    1,4-dioxane 1459.21
    methyl acetate 582.37
    THF 1557.87
    2-butanone 661.44
    n-pentanol 270.61
    sec-butanol 435.2
    n-hexane 24.06
    ethylene glycol 198.77
    NMP 587.88
    cyclohexane 96.42
    DMSO 769.1
    n-butyl acetate 311.41
    n-octanol 151.05
    chloroform 2978.67
    n-propyl acetate 269.08
    acetic acid 503.25
    dichloromethane 2026.67
    cyclohexanone 866.12
    propylene glycol 266.81
    isopropyl acetate 392.15
    DMAc 576.91
    2-ethoxyethanol 377.44
    isopentanol 470.94
    n-heptane 18.9
    ethyl formate 400.88
    1,2-dichloroethane 920.47
    n-hexanol 314.08
    2-methoxyethanol 780.57
    isobutyl acetate 210.71
    tetrachloromethane 274.77
    n-pentyl acetate 194.94
    transcutol 1411.72
    n-heptanol 138.85
    ethylbenzene 203.83
    MIBK 360.16
    2-propoxyethanol 537.34
    tert-butanol 613.95
    MTBE 463.42
    2-butoxyethanol 294.66
    propionic acid 409.49
    o-xylene 294.61
    formic acid 223.45
    diethyl ether 482.21
    m-xylene 388.68
    p-xylene 281.17
    chlorobenzene 676.8
    dimethyl carbonate 270.25
    n-octane 11.16
    formamide 330.1
    cyclopentanone 983.4
    2-pentanone 526.26
    anisole 429.69
    cyclopentyl methyl ether 567.85
    gamma-butyrolactone 938.32
    1-methoxy-2-propanol 637.29
    pyridine 1092.65
    3-pentanone 364.62
    furfural 844.83
    n-dodecane 14.74
    diethylene glycol 522.49
    diisopropyl ether 149.05
    tert-amyl alcohol 357.87
    acetylacetone 602.58
    n-hexadecane 17.05
    acetophenone 344.68
    methyl propionate 419.66
    isopentyl acetate 311.13
    trichloroethylene 1913.83
    n-nonanol 131.98
    cyclohexanol 525.69
    benzyl alcohol 354.59
    2-ethylhexanol 151.55
    isooctanol 121.62
    dipropyl ether 155.38
    1,2-dichlorobenzene 502.1
    ethyl lactate 163.75
    propylene carbonate 578.66
    n-methylformamide 539.75
    2-pentanol 324.4
    n-pentane 38.85
    1-propoxy-2-propanol 333.17
    1-methoxy-2-propyl acetate 376.89
    2-(2-methoxypropoxy) propanol 310.13
    mesitylene 212.11
    ε-caprolactone 634.81
    p-cymene 107.8
    epichlorohydrin 1199.97
    1,1,1-trichloroethane 906.9
    2-aminoethanol 336.26
    morpholine-4-carbaldehyde 790.05
    sulfolane 770.55
    2,2,4-trimethylpentane 29.07
    2-methyltetrahydrofuran 898.0
    n-hexyl acetate 297.84
    isooctane 28.17
    2-(2-butoxyethoxy)ethanol 453.22
    sec-butyl acetate 212.94
    tert-butyl acetate 335.33
    decalin 42.96
    glycerin 368.8
    diglyme 753.87
    acrylic acid 387.21
    isopropyl myristate 116.27
    n-butyric acid 538.2
    acetyl acetate 406.95
    di(2-ethylhexyl) phthalate 144.72
    ethyl propionate 237.24
    nitromethane 843.12
    1,2-diethoxyethane 373.53
    benzonitrile 568.95
    trioctyl phosphate 92.64
    1-bromopropane 526.5
    gamma-valerolactone 1086.83
    n-decanol 99.11
    triethyl phosphate 112.52
    4-methyl-2-pentanol 215.5
    propionitrile 560.01
    vinylene carbonate 609.54
    1,1,2-trichlorotrifluoroethane 661.11
    DMS 308.3
    cumene 139.13
    2-octanol 99.71
    2-hexanone 286.54
    octyl acetate 145.42
    limonene 133.76
    1,2-dimethoxyethane 632.89
    ethyl orthosilicate 108.11
    tributyl phosphate 117.41
    diacetone alcohol 358.83
    N,N-dimethylaniline 240.64
    acrylonitrile 688.16
    aniline 615.54
    1,3-propanediol 458.31
    bromobenzene 741.65
    dibromomethane 1262.23
    1,1,2,2-tetrachloroethane 1432.11
    2-methyl-cyclohexyl acetate 187.84
    tetrabutyl urea 135.74
    diisobutyl methanol 109.61
    2-phenylethanol 319.0
    styrene 270.4
    dioctyl adipate 162.2
    dimethyl sulfate 331.21
    ethyl butyrate 212.53
    methyl lactate 267.6
    butyl lactate 182.26
    diethyl carbonate 163.17
    propanediol butyl ether 337.0
    triethyl orthoformate 149.81
    p-tert-butyltoluene 105.36
    methyl 4-tert-butylbenzoate 259.92
    morpholine 1269.93
    tert-butylamine 356.79
    n-dodecanol 76.61
    dimethoxymethane 642.45
    ethylene carbonate 524.16
    cyrene 275.28
    2-ethoxyethyl acetate 328.74
    2-ethylhexyl acetate 224.9
    1,2,4-trichlorobenzene 584.21
    4-methylpyridine 989.55
    dibutyl ether 150.67
    2,6-dimethyl-4-heptanol 109.61
    DEF 394.55
    dimethyl isosorbide 434.97
    tetrachloroethylene 851.83
    eugenol 274.3
    triacetin 311.59
    span 80 264.84
    1,4-butanediol 181.32
    1,1-dichloroethane 1159.88
    2-methyl-1-pentanol 269.39
    methyl formate 461.2
    2-methyl-1-butanol 383.43
    n-decane 21.29
    butyronitrile 540.65
    3,7-dimethyl-1-octanol 167.33
    1-chlorooctane 99.63
    1-chlorotetradecane 45.26
    n-nonane 18.84
    undecane 17.26
    tert-butylcyclohexane 36.88
    cyclooctane 30.94
    cyclopentanol 542.92
    tetrahydropyran 1153.27
    tert-amyl methyl ether 251.37
    2,5,8-trioxanonane 495.06
    1-hexene 117.39
    2-isopropoxyethanol 279.54
    2,2,2-trifluoroethanol 251.63
    methyl butyrate 302.27

    Scent© AI

1 of 4
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