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| IUPAC name : | (4aR,8aR)-5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene |
| InChI : | InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,14H,5,7-10H2,1-4H3/t14-,15+/m0/s1 |
| InChIKey : | WNRBYZQFEBIUGD-LSDHHAIUBH |
| SMILES : | CC1=CCC[C@]2([C@H]1CC(=C(C)C)CC2)C |
| cas number : | 6813-21-4 |
| molar refractivity : | 66.56 ± 0.3 cm3 |
| parachor : | 530.0 ± 6.0 cm3 |
| index of refraction : | 1.499 ± 0.02 |
| surface tension : | 30.0 ± 3.0 dyne/cm |
| density : | 0.902 ± 0.06 g/cm3 |
| polarizability : | 26.38 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| 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 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 269.00 to 270.00 °C. @ 760.00 mm Hg
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| logp : | 6.73 |
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. ) : | 222.00 °F. TCC ( 105.56 °C. )
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safety references :
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| EPI System : | view |
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| | (4aR,8aR)-5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene
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| chemidplus : | 6813-21-4 |
| EPA Substance Registry Services : | 6813-21-4 |
| NLM Chemical Carcinogenesis Research Information System : | 6813-21-4 |
| NLM Developmental and Reproductive Toxicity : | 6813-21-4 |
| NLM Env. Mutagen Info. Center : | 6813-21-4 |
| NLM GENetic TOXicology : | 6813-21-4 |
references :
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| | (4aR,8aR)-5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene
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| pubchem : | 10532606 |
| NIST Chemistry WebBook : | 3978034749 |
other :
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synonyms :
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| | eudesma-3,7(11)-diene | | (4aR,8aR)-2-iso | propylidene-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene | | | selina-3,7(11)-diene | | 3,7(11)- | selinadiene |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
natural occurrence in :
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| data page | amyris wood oil @ 3.50% |
| data page | herniaria incana lam. oil greece @ 0.30% |
| data page | lime oil distilled mexico @ 0.05% |
| data page | lime oil distilled peru @ 0.10% |
| data page | marsypianthes chamaedrys (vahl) kuntze oil brazil @ 0.40% |
| data page | savin oil @ 0.37% |
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