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| InChI : | InChI=1/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3 |
| InChIKey : | WCEIQUQVIOGRBF-UHFFFAOYAZ |
| SMILES : | CC1(CCCC2(C3C1C4C2(C4C3)C)C)C |
| cas number : | 1137-12-8 |
| (EINECS) number : | 214-504-5 |
| beilstein number : | 2039581 |
| molar refractivity : | 63.42 ± 0.3 cm3 |
| parachor : | 514.5 ± 4.0 cm3 |
| index of refraction : | 1.527 ± 0.02 |
| surface tension : | 38.8 ± 3.0 dyne/cm |
| density : | 0.991 ± 0.06 g/cm3 |
| polarizability : | 25.14 ± 0.5 10-24cm3 |
| XlogP : | 5.50 |
| 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 : | (+)-Longicyclene
purum, ≥95.0% (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 : | 239.00 to 240.00 °C. @ 760.00 mm Hg
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| flash point : | 193.00 °F. TCC ( 89.44 °C. )
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| logP (o/w) : | 6.07 |
safety :
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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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| (EINECS) number : | 214-504-5 |
| chemidplus : | 001137128 |
| EPA Substance Registry Services : | 1137-12-8 |
references :
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| NIST Chemistry WebBook : | 637217213 |
| pubchem : | 10504425 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| (1S- (1alpha,2alpha,3abeta, 4alpha,8abeta,9R*))- | decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
natural occurrence in :
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| data page | angelica root oil @ 0.07%
| S |
| data page | croton cajucara benth. leaf oil brazil @ 0.90%
| S |
| data page | croton flavens l. (welensali) leaf oil curacao @ 0.20%
| S |
| data page | hinoki leaf oil @ 0.41%
| S |
| data page | hinoki root oil @ 0.65%
| S |
| data page | hinoki wood oil @ 0.05%
| S |
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