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| IUPAC name : | (1R,5R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptane |
| InChI : | InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1 |
| InChIKey : | WTARULDDTDQWMU-RKDXNWHRBD |
| SMILES : | CC1([C@@H]2CCC(=C)[C@H]1C2)C |
| cas number : | 19902-08-0 |
| beilstein number : | 3587586 |
| fema number : | 2903 |
| coe number : | 2114 |
| molar refractivity : | 43.76 ± 0.4 cm3 |
| parachor : | 349.0 ± 6.0 cm3 |
| index of refraction : | 1.483 ± 0.03 |
| surface tension : | 27.0 ± 5.0 dyne/cm |
| density : | 0.88 ± 0.1 g/cm3 |
| polarizability : | 17.34 ± 0.5 10-24cm3 |
| XlogP : | 4.20 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Penta : | (+)-b-pinene
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organoleptics :
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| odor type : | terpenic |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet fresh pine woody hay green |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86300 to 0.87100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.181 to 7.248
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| specific gravity : | 0.86400 to 0.87200 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.198 to 7.264
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| refractive index : | 1.47600 to 1.48100 @ 20.00 °C.
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| boiling point : | 164.00 to 165.00 °C. @ 760.00 mm Hg
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| flash point : | 97.00 °F. TCC ( 36.11 °C. )
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| logP (o/w) : | 4.37 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. |
safety :
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| most important hazard(s) : | Xn N - Harmful, Dangerous for the environment. |
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R 10 - Flammable. R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. 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. S 60 - This material and its container must be disposed of as hazardous waste. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
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| Oral Toxicity(LD50) : |
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Not determined
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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 (+)-beta-pinene usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| WISER : | UN 2319 |
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| WGK Germany : | 3 |
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| | (1R,5R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptane
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| chemidplus : | 19902-08-0 |
| EPA Substance Registry Services : | 19902-08-0 |
references :
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| | (1R,5R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptane
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| pubchem : | 35608141 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |