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| InChI : | InChI=1/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3/t10-,12-,13-,14-/m1/s1 |
| InChIKey : | WGTRJVCFDUCKCM-FMKGYKFTBJ |
| SMILES : | C[C@@H]1CCC2=C(CC[C@@H]3[C@H]([C@H]12)C3(C)C)C |
| (EINECS) number : | 244-565-3 |
| cas number : | 21747-46-6 |
| beilstein number : | 2554786 |
| molar refractivity : | 64.73 ± 0.4 cm3 |
| parachor : | 510.6 ± 6.0 cm3 |
| index of refraction : | 1.512 ± 0.03 |
| surface tension : | 31.4 ± 5.0 dyne/cm |
| density : | 0.94 ± 0.1 g/cm3 |
| polarizability : | 25.66 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| 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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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92700 @ 20.00 °C.
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| refractive index : | 1.50400 @ 20.00 °C.
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| boiling point : | 268.00 to 270.00 °C. @ 760.00 mm Hg
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| logp : | 6.45 |
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. ) : | 214.00 °F. TCC ( 101.11 °C. )
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safety references :
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| EPI System : | view |
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| (EINECS) number : | 244-565-3 |
| chemidplus : | 21747-46-6 |
| EPA Substance Registry Services : | 21747-46-6 |
| NLM Chemical Carcinogenesis Research Information System : | 21747-46-6 |
| NLM Developmental and Reproductive Toxicity : | 21747-46-6 |
| NLM Env. Mutagen Info. Center : | 21747-46-6 |
| NLM GENetic TOXicology : | 21747-46-6 |
references :
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| pubchem : | 32961914 |
other :
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synonyms :
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| | ledene | | (+)- | ledene | | (1aS-(1aalpha,7alpha, 7abeta,7balpha))- 1a,2,3,5,6,7,7a,7b- | octahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulene | | (1aR,7R,7aS,7bR)- 1,1,4,7- | tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa(e)azulene | | | viridiflorene |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
natural occurrence in :
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| data page | cajuput oil @ 6.1% |
| data page | cedrela wood oil @ 0.55% |
| data page | cinnamomum fragrans baillon leaf oil madagascar @ 0.40% |
| data page | cistus oil @ 9.3% |
| data page | eucalyptus globulus bud oil @ 0.10% |
| data page | eucalyptus globulus bud oil @ 0.36% |
| data page | eucalyptus globulus fruit oil @ 0.66% |
| data page | eucalyptus globulus fruit oil @ 3.63% |
| data page | eucalyptus globulus maidenii f. muell oil @ 0.08% |
| data page | guava leaf oil cuba @ 8.80% |
| data page | labdanum leaf oil @ 0.90% |
| data page | labdanum oil @ 0.45% |
| data page | lime oil CO2 extract mexico @ 0.29% |
| data page | manuka var. eximium oil australia @ 0.30% |
| data page | phoebe oil brazil @ 0.77% |
| data page | polyalthia australis (benth.) jessup leaf oil australia @ 0.60% |
| data page | pteronia oil @ 3.10% |
| data page | rosemary oil france @ 0.06-0.15% |
| data page | rosemary oil morocco @ 0.00-0.12% |
| data page | sage oil reunion @ trace% |
| data page | tea tree oil australia @ 1.75% |
| data page | thyme oil red spain @ trace-0.10% |
| data page | vassoura oil @ 3.60% |
| data page | wormwood oil cuba @ 0.41% |
| data page | zanthoxylum ovalifolium l. leaf oil australia @ 0.80% |
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