4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, acetate
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Identifiers
Molecular formula
C12H16O2SMILES
CC(=O)OC1=CCC2C1C3CCC2C3
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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
2.6pKa est.
7.5 (neutral)Molecular weight
192.25 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
SlowBoiling point est.
269°CFlash point
- 105.57 ˚C est.
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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
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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
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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
| 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 |