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| IUPAC name : | 2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene |
| InChI : | InChI=1/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3 |
| InChIKey : | HICYDYJTCDBHMZ-UHFFFAOYAH |
| SMILES : | CC1=CCC2C3C1C2(CCCC3(C)C)C |
| cas number : | 5989-08-2 |
| molar refractivity : | 65.07 ± 0.3 cm3 |
| parachor : | 512.6 ± 6.0 cm3 |
| index of refraction : | 1.498 ± 0.02 |
| surface tension : | 28.6 ± 3.0 dyne/cm |
| density : | 0.922 ± 0.06 g/cm3 |
| polarizability : | 25.79 ± 0.5 10-24cm3 |
| XlogP : | 4.90 |
| molecular weight : | 204.3510600 (IUPAC) |
| formula : | C15 H24 |
| pherobase : | view |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Sigma-Aldrich-Aldrich : | (+)-a-Longipinene
puriss., ≥99.0% (sum of enantiomers, GC) |
organoleptics :
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properties :
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| assay : | 95.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| boiling point : | 251.00 to 252.00 °C. @ 760.00 mm Hg
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| flash point : | 216.00 °F. TCC ( 102.22 °C. )
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| logP (o/w) : | 6.40 |
| 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) : | None - None found. |
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S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : | | |
Not determined
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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safety references :
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| EPI System : | view |
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| WGK Germany : | 3 |
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2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene |
| chemidplus : | 005989082 |
| EPA Substance Registry Services : | 5989-08-2 |
references :
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2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene |
| NIST Chemistry WebBook : | 4214073968 |
| pubchem : | 10529025 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| (+)-alpha- | longipinene | | 2,6,6,9- | tetramethyl tricyclo(5.4.0.0(2,8))undec-9-ene | | 3,3,7,9- | tetramethyl tricyclo(5.4.0.0(2,8))undec-9-ene | | 2,6,6,9- | tetramethyltricyclo[5.4.0.02,8]undec-9-ene |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
natural occurrence in :
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| data page | cedarwood oil lebanon @ 0.10%
| S |
| data page | hinoki leaf oil @ 0.37%
| S |
| data page | hinoki root oil @ 0.48%
| S |
| data page | hinoki wood oil @ 0.10%
| S |
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