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| IUPAC name : | 4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol |
| InChI : | InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3 |
| InChIKey : | WONIGEXYPVIKFS-UHFFFAOYAI |
| SMILES : | CC1=CC(C2CC1C2(C)C)O |
| cas number : | 473-67-6 |
| (EINECS) number : | 207-470-8 |
| fema number : | 3594 |
| coe number : | 10304 |
| jecfa number : | 1404 |
| fl. number : | 02.101 |
| molar refractivity : | 45.55 ± 0.3 cm3 |
| parachor : | 362.5 ± 6.0 cm3 |
| index of refraction : | 1.511 ± 0.02 |
| surface tension : | 32.4 ± 3.0 dyne/cm |
| density : | 1.002 ± 0.06 g/cm3 |
| polarizability : | 18.05 ± 0.5 10-24cm3 |
| XlogP : | 2.10 |
| molecular weight : | 152.2334400 |
| formula : | C10 H16 O |
| BioActivity Analysis : | 98376 |
| NMR Predictor : | Predict |
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| export tariff code : | 2906.19.5000 |
| fda reg : | 172.515 |
Suppliers :
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| Bedoukian Research : | VERBENOL
≥94.0%, Kosher Odor: A fresh piney note with an ozonic character |
| Nippon Terpene : | Verbenol
70% |
| Penta : | verbenol
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organoleptics :
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| odor type : | balsamic |
| odor strength : | medium |
odor description : at 100.00 %. | fresh pine ozone |
properties :
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| appearence : | white to pale yellow crystalline solid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| refractive index : | 1.49000 @ 20.00 °C.
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| melting point : | 63.00 to 67.00 °C. @ 760.00 mm Hg
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| boiling point : | 214.00 to 215.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 2.37000 mm/Hg @ 25.00 °C. |
| flash point : | 185.00 °F. TCC ( 85.00 °C. )
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| logP (o/w) : | 2.46 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Intraperitoneal-Mouse 125.00 mg/kg
Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.20 (μg/capita/day) |
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| recommendation for verbenol usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for verbenol usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
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| (EINECS) number : | 207-470-8 |
| chemidplus : | 000473676 |
| EPA Substance Registry Services : | 473-67-6 |
| dtp/nci : | 44159 |
references :
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| | 4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
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| fl. number : | 02.101 |
| jecfa number : | 1404 |
| NIST Chemistry WebBook : | 4244411735 |
| pubchem : | 197377 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |