3,5,5-Trimethylhexyl acetate
- CAS NO.：58430-94-7
- Empirical Formula: C11H22O2
- Molecular Weight: 186.29
- MDL number: MFCD00026336
- EINECS: 261-245-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-09-12 18:43:53
What is 3,5,5-Trimethylhexyl acetate?
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
Not classified
Trade name
Vanoris (IFF).
Properties of 3,5,5-Trimethylhexyl acetate
| 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 |
| Flash point: | 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 |
| Water Solubility | 19.1mg/L at 20℃ |
| CAS DataBase Reference | 58430-94-7 |
| EPA Substance Registry System | 1-Hexanol, 3,5,5-trimethyl-, acetate (58430-94-7) |
Safety information for 3,5,5-Trimethylhexyl acetate
| Signal word | Warning |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for 3,5,5-Trimethylhexyl acetate
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