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| IUPAC name : | (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol |
| InChI : | InChI=1/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1 |
| InChIKey : | ZRVDANDJSTYELM-FXAWDEMLBD |
| SMILES : | CC(C)C1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O |
| cas number : | 511-15-9 |
| molar refractivity : | 89.53 ± 0.3 cm3 |
| parachor : | 717.9 ± 4.0 cm3 |
| index of refraction : | 1.529 ± 0.02 |
| surface tension : | 37.6 ± 3.0 dyne/cm |
| density : | 0.988 ± 0.06 g/cm3 |
| polarizability : | 35.49 ± 0.5 10-24cm3 |
| xlogp : | 6.10 |
| molecular weight : | 286.4516000 |
| formula : | C20 H30 O |
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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 : | white solid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 128.00 to 132.00 °C. @ 760.00 mm Hg
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| boiling point : | 369.00 to 371.00 °C. @ 760.00 mm Hg
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| logp : | 7.57 |
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. ) : | 332.00 °F. TCC ( 166.67 °C. )
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safety references :
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| EPI System : | view |
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| | (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
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| chemidplus : | 000511159 |
| EPA Substance Registry Services : | 511-15-9 |
| NLM Chemical Carcinogenesis Research Information System : | 511-15-9 |
| NLM Developmental and Reproductive Toxicity : | 511-15-9 |
| NLM Env. Mutagen Info. Center : | 511-15-9 |
| NLM GENetic TOXicology : | 511-15-9 |
references :
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| | (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
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| pubchem : | 669701 |
other :
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synonyms :
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| 4b,5,6,7, 8,8a,9,10- | octahydro-4b,8,8-trimethyl-1-(1-methyl ethyl)-2-phenanthrenol | | 14-iso | propyl podocarpa-8,11,13-trien-13-ol | | | totarol | | 4b,5,6,7, 8,8a,9,10- | octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-phenanthrenol |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
natural occurrence in :
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| data page | cedarleaf oil canada @ trace-0.10% |
| data page | rosemary oil CO2 extract @ trace% |
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