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| IUPAC name : | 1-(2-tert-butylcyclohexyl)oxybutan-2-ol |
| InChI : | InChI=1/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3 |
| InChIKey : | GQBVHGLNSHPKPG-UHFFFAOYAH |
| SMILES : | CCC(COC1CCCCC1C(C)(C)C)O |
| cas number : | 139504-68-0 |
| (EINECS) number : | 412-300-2 |
| eu annex : | 603-154-00-2 |
| molar refractivity : | 68.03 ± 0.4 cm3 |
| parachor : | 588.7 ± 6.0 cm3 |
| index of refraction : | 1.463 ± 0.03 |
| surface tension : | 32.3 ± 5.0 dyne/cm |
| density : | 0.92 ± 0.1 g/cm3 |
| polarizability : | 26.97 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| XlogP3-AA : | 3.80 |
| molecular weight : | 228.3709200 (IUPAC) |
| formula : | C14 H28 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2909.49.090 |
| fda reg : | unspecified |
Suppliers :
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| Moellhausen : | amber core
99% min. nature identical kosher |
| Nanjing : | 2-t-BUTYLCYCLOHEXYLOXYBUTANOL
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organoleptics :
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| odor type : | amber |
| odor strength : | medium |
odor description : at 100.00 %. | woody amber |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93100 to 0.94100 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.756 to 7.839
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| refractive index : | 1.46100 to 1.47100 @ 20.00 °C.
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| boiling point : | 272.00 to 273.00 °C. @ 760.00 mm Hg
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| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 3.86 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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 amber butanol usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for amber butanol 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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| | 1-(2-tert-butylcyclohexyl)oxybutan-2-ol
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| (EINECS) number : | 412-300-2 |
| chemidplus : | 139504680 |
| EPA Substance Registry Services : | 139504-68-0 |
references :
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| | 1-(2-tert-butylcyclohexyl)oxybutan-2-ol
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| pubchem : | 741862 |
Cosmetics :
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| Cosmetic uses : |
solvents
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other :
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| CosIng : | cosmetic data |