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| IUPAC name : | (1R,4S,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol |
| InChI : | InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10-/m0/s1 |
| InChIKey : | DTGKSKDOIYIVQL-XKSSXDPKBN |
| SMILES : | CC1([C@H]2CC[C@]1([C@@H](C2)O)C)C |
| cas number : | 124-76-5 |
| (EINECS) number : | 204-712-4 |
| beilstein number : | 4126091 |
| fema number : | 2158 |
| coe number : | 2020 |
| jecfa number : | 1386 |
| fl. number : | 02.059 |
| molar refractivity : | 45.85 ± 0.3 cm3 |
| parachor : | 381.2 ± 4.0 cm3 |
| index of refraction : | 1.502 ± 0.02 |
| surface tension : | 36.2 ± 3.0 dyne/cm |
| density : | 0.992 ± 0.06 g/cm3 |
| polarizability : | 18.17 ± 0.5 10-24cm3 |
| XlogP : | 2.70 |
| XlogP3 : | 2.70 |
| molecular weight : | 154.2493200 (IUPAC) |
| formula : | C10 H18 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2906.19.5000 |
| fda reg : | 172.515 |
Suppliers :
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| Berje : | isoBorneol Crystals
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| Fleurchem : | isoborneol
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| Nanjing : | isoborneol
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| Penta : | isoborneol
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| Sigma-Aldrich-SAFC : | Isoborneol
≥95%, Kosher |
| TCI AMERICA : | (+/-)-Isoborneol
>90.0%(GC) |
organoleptics :
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| odor type : | balsamic |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | balsam camphor herbal woody |
| odor sample from : | Berje Inc. |
| substantivity : | 297 hour(s) at 10.00 % in dipropylene glycol |
properties :
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| appearence : | white crystalline solid |
| assay : | 92.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 212.00 to 214.00 °C. @ 760.00 mm Hg
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| boiling point : | 212.00 to 214.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.03500 mm/Hg @ 25.00 °C. |
| flash point : | 200.00 °F. TCC ( 93.33 °C. )
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| logP (o/w) : | 2.71 |
| shelf life : | 36.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 42/43 - May cause sensitization by inhalation and skin contact. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat 5200.00 mg/kg (Moreno, 1977abp)
intravenous-Mouse 56.00 mg/kg NIOSH Exchange Chemicals. Vol. NX#03209
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 531, 1979.
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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) : | 21.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.07 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for dextro,laevo-isoborneol usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for dextro,laevo-isoborneol usage levels up to : |
| | 12.0000 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... |
| msds : | msds |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1325 |
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| WGK Germany : | 2 |
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| | (1R,4S,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
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| (EINECS) number : | 204-712-4 |
| RTECS : | NP7300000 for 124-76-5 |
| chemidplus : | 000124765 |
| EPA Substance Registry Services : | 124-76-5 |
references :
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| | (1R,4S,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
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| fl. number : | 02.059 |
| jecfa number : | 1386 |
| NIST Chemistry WebBook : | 124765 |
| pubchem : | 197298 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| FDA Everything Added to Food in the United States (EAFUS) | View |