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| IUPAC name : | (1R,2R,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol |
| InChI : | InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1 |
| InChIKey : | WONIGEXYPVIKFS-DJLDLDEBBG |
| SMILES : | CC1=C[C@H]([C@@H]2C[C@H]1C2(C)C)O |
| cas number : | 1845-30-3 |
| molar refractivity : | 45.55 ± 0.3 cm3 |
| parachor : | 362.5 ± 6.0 cm3 |
| index of refraction : | 1.511 ± 0.02 |
| surface tension : | 32.4 ± 3.0 dyne/cm |
| density : | 1.002 ± 0.06 g/cm3 |
| polarizability : | 18.05 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 152.2334400 |
| formula : | C10 H16 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 crystals |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 70.00 to 72.00 °C. @ 760.00 mm Hg
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| boiling point : | 214.00 to 215.00 °C. @ 760.00 mm Hg
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| boiling point : | 89.00 to 91.00 °C. @ 10.00 mm Hg
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| logp : | 2.46 |
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. ) : | 184.00 °F. TCC ( 84.44 °C. )
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safety references :
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| EPI System : | view |
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| | (1R,2R,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
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| chemidplus : | 001845303 |
| EPA Substance Registry Services : | 1845-30-3 |
| NLM Chemical Carcinogenesis Research Information System : | 1845-30-3 |
| NLM Developmental and Reproductive Toxicity : | 1845-30-3 |
| NLM Env. Mutagen Info. Center : | 1845-30-3 |
| NLM GENetic TOXicology : | 1845-30-3 |
references :
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| | (1R,2R,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
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| pubchem : | 742362 |
| NIST Chemistry WebBook : | 4140459037 |
other :
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