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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (Z)-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane |
| InChI : | InChI=1/C13H26O/c1-5-13(3,4)11-7-9-12(10-8-11)14-6-2/h11-12H,5-10H2,1-4H3/t11-,12+ |
| InChIKey : | KDPSHFVSTJYAJQ-TXEJJXNPBT |
| SMILES : | CCO[C@@H]1CC[C@@H](CC1)C(C)(C)CC |
| cas number : | 181258-87-7 |
| (EINECS) number : | 426-530-6 |
| molar refractivity : | 61.89 ± 0.4 cm3 |
| parachor : | 533.7 ± 6.0 cm3 |
| index of refraction : | 1.445 ± 0.03 |
| surface tension : | 27.8 ± 5.0 dyne/cm |
| density : | 0.85 ± 0.1 g/cm3 |
| polarizability : | 24.53 ± 0.5 10-24cm3 |
| XlogP3-AA : | 4.20 |
| molecular weight : | 198.3449400 (IUPAC) |
| formula : | C13 H26 O |
| NMR Predictor : | Predict |
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| IUPAC name : | (E)-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane |
| InChI : | InChI=1/C13H26O/c1-5-13(3,4)11-7-9-12(10-8-11)14-6-2/h11-12H,5-10H2,1-4H3/t11-,12- |
| InChIKey : | KDPSHFVSTJYAJQ-HAQNSBGRBK |
| SMILES : | CCO[C@@H]1CC[C@H](CC1)C(C)(C)CC |
| cas number : | 181258-89-9 |
| molar refractivity : | 61.89 ± 0.4 cm3 |
| parachor : | 533.7 ± 6.0 cm3 |
| index of refraction : | 1.445 ± 0.03 |
| surface tension : | 27.8 ± 5.0 dyne/cm |
| density : | 0.85 ± 0.1 g/cm3 |
| polarizability : | 24.53 ± 0.5 10-24cm3 |
| XlogP3-AA : | 4.20 |
| molecular weight : | 198.3449400 (IUPAC) |
| formula : | C13 H26 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2902.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Ozofleur
≥95% (sum of isomers)
Odor: Adds freshness and body to fragrances. Aldehydic, ozonic, green, fruity. |
organoleptics :
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| odor type : | marine |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | green floral ozone fresh air marine fruity |
| substantivity : | 8 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86900 to 0.87500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.231 to 7.281
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| refractive index : | 1.45200 to 1.45600 @ 20.00 °C.
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| flash point : | 207.00 °F. TCC ( 97.22 °C. )
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| logP (o/w) : | 5.00 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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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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| recommendation for marine hexane usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for marine hexane usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | (Z)-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
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| (EINECS) number : | 426-530-6 |
| chemidplus : | 181258877 |
| EPA Substance Registry Services : | 181258-87-7 |
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| | (E)-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
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| chemidplus : | 181258899 |
| EPA Substance Registry Services : | 181258-89-9 |
references :
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| | (Z)-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
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| pubchem : | 3819212 |
| | (E)-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
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| pubchem : | 3819213 |
other :
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