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| InChI : | InChI=1/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey : | CSKINCSXMLCMAR-UHFFFAOYAN |
| SMILES : | CC1CCC2=C1CC3CCC2(C3(C)C)C |
| (EINECS) number : | 208-182-5 |
| cas number : | 514-51-2 |
| molar refractivity : | 64.79 ± 0.4 cm3 |
| parachor : | 510.9 ± 6.0 cm3 |
| index of refraction : | 1.515 ± 0.03 |
| surface tension : | 32.0 ± 5.0 dyne/cm |
| density : | 0.95 ± 0.1 g/cm3 |
| polarizability : | 25.68 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 204.3510600 |
| formula : | C15 H24 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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properties :
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| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 260.00 - 262.00 °C. @ 760.00 mm Hg
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| logp : | 6.37 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 211.00 °F. TCC ( 99.44 °C. )
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safety links :
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| (EINECS) number : | 208-182-5 |
| chemidplus : | 000514512 |
| epa-srs : | 514-51-2 |
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other :
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references :
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| pubchem : | 679172 |
| NIST Chemistry WebBook : | 1572639317 |
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| synonyms : |
| (1S-(1alpha,4alpha,7alpha))- 1,2,3,4,5,6,7,8- | octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene | | (1S,4R,7R)- 1,2,3,4,5,6,7,8- | octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene | | | octahydrotetramethyl methanoazulene | | (-)-beta- | patchoulene | | beta- | patchoulene |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| natural occurrence in : |
| data page | basil flower oil sweet @ 0.79% |
| data page | basil leaf oil sweet (ocimum basilicum) @ 0.90% |
| data page | patchouli oil @ 13.75% |
| data page | patchouli oil china @ 6.91% |
| data page | spikenard oil @ 0.70% |
| data page | tagete oil CO2 extract @ 0.10% |
| data page | tagete oil egypt @ 0.37% |
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