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| IUPAC name : | (1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene |
| InChI : | InChI=1/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1 |
| InChIKey : | YMBFCQPIMVLNIU-SOUVJXGZBA |
| SMILES : | C/C(C)=C\CC[C@]2(C)[C@@H]1C[C@H]2C(/C)=C\C1 |
| cas number : | 13474-59-4 |
| molar refractivity : | 67.01 ± 0.3 cm3 |
| parachor : | 531.7 ± 6.0 cm3 |
| index of refraction : | 1.489 ± 0.02 |
| surface tension : | 27.6 ± 3.0 dyne/cm |
| density : | 0.881 ± 0.06 g/cm3 |
| polarizability : | 26.56 ± 0.5 10-24cm3 |
| XlogP3-AA : | 4.80 |
| molecular weight : | 204.3510600 (IUPAC) |
| formula : | C15 H24 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | (E)-a-bergamotene,(-)-trans-a-bergamotene
orders in chinese only. |
organoleptics :
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| odor strength : | medium |
odor description:
at 100.00 %. | woody warm tea |
properties :
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| appearence : | pale green clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 259.00 to 260.00 °C. @ 760.00 mm Hg
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| flash point : | 213.00 °F. TCC ( 100.56 °C. )
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| logP (o/w) : | 6.54 |
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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| Category : | natural substances and extractives |
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| recommendation for (E)-alpha-bergamotene fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for (E)-alpha-bergamotene flavor 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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(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene |
| chemidplus : | 013474594 |
| EPA Substance Registry Services : | 13474-59-4 |
references :
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(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene |
| pubchem : | 3733671 |
| Flavornet : | 13474-59-4 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |