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| IUPAC name : | 2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol |
| InChI : | InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1 |
| InChIKey : | FCSRUSQUAVXUKK-VNHYZAJKBZ |
| SMILES : | CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(C)(C)O)C |
| cas number : | 473-16-5 |
| molar refractivity : | 68.18 ± 0.3 cm3 |
| parachor : | 561.2 ± 6.0 cm3 |
| index of refraction : | 1.500 ± 0.02 |
| surface tension : | 34.4 ± 3.0 dyne/cm |
| density : | 0.959 ± 0.06 g/cm3 |
| polarizability : | 27.03 ± 0.5 10-24cm3 |
| XlogP : | 4.80 |
| molecular weight : | 222.3663400 (IUPAC) |
| formula : | C15 H26 O |
| pherobase floral: | view |
| 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 : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 81.00 to 82.00 °C. @ 760.00 mm Hg
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| boiling point : | 299.00 to 302.00 °C. @ 760.00 mm Hg
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| flash point : | 227.00 °F. TCC ( 108.33 °C. )
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| logP (o/w) : | 4.69 |
safety :
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | natural substances and extractives |
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| recommendation for alpha-eudesmol fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for alpha-eudesmol flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Cancer Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol |
| chemidplus : | 000473165 |
| EPA Substance Registry Services : | 473-16-5 |
references :
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| | 2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol |
| pubchem : | 669679 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |