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| | 3,5,5-TRIMETHYLHEXYL ACETATE Basic information |
| Product Name: | 3,5,5-TRIMETHYLHEXYL ACETATE | | Synonyms: | NONISYL ACETATE;1-Hexanol,3,5,5-trimethyl-,acetate;3,5,5-trimethyl-1-hexanoacetate;3,5,5-Trimethylhexan-1-olacetate;aceticacidtrimethylester;VANORIS;ACETIC ACID 3,5,5-TRIMETHYLHEXYL ESTER;3,5,5-TRIMETHYL-1-HEXANOL ACETATE | | CAS: | 58430-94-7 | | MF: | C11H22O2 | | MW: | 186.29 | | EINECS: | 261-245-9 | | Product Categories: | | | Mol File: | 58430-94-7.mol |  |
| | 3,5,5-TRIMETHYLHEXYL ACETATE Chemical Properties |
| Melting point | -26°C (estimate) | | Boiling point | 209 °C | | density | 0,87 g/cm3 | | vapor pressure | 1.36hPa at 25℃ | | refractive index | 1.4200-1.4230 | | Fp | 79°C | | form | clear liquid | | color | A colourless liquid with a fruit-like odour of moderate tenacity | | Odor | at 100.00 %. sweet orris cumin woody fruity spicy | | Odor Type | herbal | | Water Solubility | 19.1mg/L at 20℃ | | LogP | 4.6 at 25℃ | | CAS DataBase Reference | 58430-94-7 | | EPA Substance Registry System | 1-Hexanol, 3,5,5-trimethyl-, acetate (58430-94-7) |
| RTECS | AK0840000 | | HS Code | 2915.39.9000 | | toxicity | The acute oral LD50 in rats was reported as 4.25 g/kg (3.54-4.96 g/kg) (Moreno, 1973). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Moreno, 1973). |
| | 3,5,5-TRIMETHYLHEXYL ACETATE Usage And Synthesis |
| Chemical Properties | Commercial isononyl acetate contains small amounts of
by-products. It is a colorless liquid with a woody, fruity odor and is prepared from diisobutene by the oxo synthesis, followed by hydrogenation to the alcohol and
acetylation. It is used in household perfumery. | | Occurrence | Has apparently not been reported to occur in nature. | | Preparation | From trimethylhexanol by acetylation (Arctander, 1969). | | Flammability and Explosibility | Notclassified | | Trade name | Vanoris (IFF). |
| | 3,5,5-TRIMETHYLHEXYL ACETATE Preparation Products And Raw materials |
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