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| IUPAC name : | 2-[(2R,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol |
| InChI : | InChI=1/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11u,13-,15-/m1/s1 |
| InChIKey : | MQWIFDHBNGIVPO-KYOSRNDEBE |
| SMILES : | CC1CCC=C2[C@@]1(C[C@@H](CC2)C(C)(C)O)C |
| cas number : | 20489-45-6 |
| molar refractivity : | 68.59 ± 0.4 cm3 |
| parachor : | 561.2 ± 6.0 cm3 |
| index of refraction : | 1.505 ± 0.03 |
| surface tension : | 34.7 ± 5.0 dyne/cm |
| density : | 0.96 ± 0.1 g/cm3 |
| polarizability : | 27.19 ± 0.5 10-24cm3 |
| XlogP : | 4.50 |
| molecular weight : | 222.3663400 |
| formula : | C15 H26 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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properties :
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| assay : | 92.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 309.00 to 310.00 °C. @ 760.00 mm Hg
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| flash point : | 236.00 °F. TCC ( 113.33 °C. )
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| logP (o/w) : | 4.62 |
safety :
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| Oral Toxicity(LD50) : | | |
Not determined
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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safety references :
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| EPI System : | view |
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| | 2-[(2R,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
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| chemidplus : | 20489-45-6 |
| EPA Substance Registry Services : | 20489-45-6 |
references :
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| | 2-[(2R,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
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| pubchem : | 39344745 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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