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| IUPAC name : | (1S,4R,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-/m1/s1 |
| InChIKey : | DTGKSKDOIYIVQL-NQMVMOMDBK |
| SMILES : | CC1([C@@H]2CC[C@@]1([C@@H](C2)O)C)C |
| cas number : | 464-45-9 |
| (EINECS) number : | 207-353-1 |
| beilstein number : | 2038053 |
| fema number : | 2157 |
| 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 |
| BioActivity Analysis : | 87222 |
| NMR Predictor : | Predict |
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| export tariff code : | 2906.39 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | borneol
98% min. natural Odor: Bornyl Alcohol, Camphor |
| Citrus and Allied Essences : | laevo-borneol crystals extra
(80-20) |
| Citrus and Allied Essences : | laevo-borneol crystals
96% |
| Fleurchem : | l-borneol
natural |
| Fleurchem : | l-borneol
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| Penta : | laevo-borneol
crystals |
| Pfaltz & Bauer : | L_Borneol
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| Sigma-Aldrich-Fluka : | (-)-Borneol
purum, ≥95.0% (sum of enantiomers, GC) |
| TCI AMERICA : | (-)-Borneol
>95.0%(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. | pine woody camphor |
| odor sample from : | CA Aromatics Company Inc. |
| substantivity : | 16 Hour(s) |
properties :
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| appearence : | colorless crystals |
| assay : | 80.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| optical rotation : | -20.00 to 0.00
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| melting point : | 206.00 to 208.00 °C. @ 760.00 mm Hg
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| boiling point : | 210.00 to 212.00 °C. @ 779.00 mm Hg
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| boiling point : | 203.00 to 204.00 °C. @ 760.00 mm Hg
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| vapor density : | 5.3 ( Air = 1 ) |
| flash point : | 150.00 °F. TCC ( 65.56 °C. )
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| logP (o/w) : | 3.01 |
| shelf life : | 24.00 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) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 22 - Do not breath dust. S 36/39 - Wear suitable clothing and eye/face protection.
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| Human experience : | 20 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 5800.00 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 655, 1978.
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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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| recommendation for laevo-borneol usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for laevo-borneol usage levels up to : |
| | 6.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1312 |
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| WGK Germany : | 2 |
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| | (1S,4R,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
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| (EINECS) number : | 207-353-1 |
| RTECS : | DT5095000 for 464-45-9 |
| chemidplus : | 000464459 |
| EPA Substance Registry Services : | 464-45-9 |
| dtp/nci : | 26352 |
references :
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| | (1S,4R,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
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| NIST Chemistry WebBook : | 464459 |
| pubchem : | 153282 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1989)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |