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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1,7,7-trimethylbicyclo[2.2.1]hept-2-ene |
| InChI : | InChI=1/C10H16/c1-9(2)8-4-6-10(9,3)7-5-8/h4,6,8H,5,7H2,1-3H3 |
| InChIKey : | KUKRLSJNTMLPPK-UHFFFAOYAJ |
| SMILES : | CC1(C2CCC1(C=C2)C)C |
| cas number : | 464-17-5 |
| molar refractivity : | 43.86 ± 0.3 cm3 |
| parachor : | 365.8 ± 4.0 cm3 |
| index of refraction : | 1.490 ± 0.02 |
| surface tension : | 33.8 ± 3.0 dyne/cm |
| density : | 0.898 ± 0.06 g/cm3 |
| polarizability : | 17.39 ± 0.5 10-24cm3 |
| XlogP : | 4.50 |
| XlogP3-AA : | 3.60 |
| molecular weight : | 136.2340400 (IUPAC) |
| formula : | C10 H16 |
| BioActivity Analysis : | 565118 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | bornylene
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organoleptics :
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properties :
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| appearence : | white solid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 111.00 to 113.00 °C. @ 760.00 mm Hg
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| boiling point : | 146.00 to 147.00 °C. @ 760.00 mm Hg
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| flash point : | 77.00 °F. TCC ( 25.00 °C. )
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| logP (o/w) : | 4.17 |
safety :
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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 bornylene usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for bornylene usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
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| | 1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
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| chemidplus : | 000464175 |
| EPA Substance Registry Services : | 464-17-5 |
| dtp/nci : | 193373 |
references :
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| | 1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
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| NIST Chemistry WebBook : | 578803709 |
| pubchem : | 153280 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |