| Identification | Back Directory | [Name]
3,5,5-TRIMETHYLHEXYL ACETATE | [CAS]
58430-94-7 | [Synonyms]
VANORIS
INONYL ACETATE
ISONONYLACETAT
NONISYL ACETATE
aceticacidtrimethylester
3,5,5-Trimethylhexylacetat
3,5,5-TRIMETHYLHEXYL ACETATE
3,5,5-trimethyl-1-hexanoacetate
3,5,5-Trimethylhexan-1-olacetate
3,5,5-Trimethylhexyl Acetate >
Acetic acid 3,5,5-trimethyl ester
3,5,5-TRIMETHYL-1-HEXANOL ACETATE
1-Hexanol,3,5,5-trimethyl-,acetate
3,5,5-Trimethyl-1-hexanol 1-acetate
1-Hexanol, 3,5,5-trimethyl-, 1-acetate
3,5,5-TRIMETHYLHEXYL ACETATE USP/EP/BP
ACETIC ACID 3,5,5-TRIMETHYLHEXYL ESTER
TIANFU-CHEM - 3,5,5-TRIMETHYLHEXYL ACETATE | [EINECS(EC#)]
261-245-9 | [Molecular Formula]
C11H22O2 | [MDL Number]
MFCD00026336 | [MOL File]
58430-94-7.mol | [Molecular Weight]
186.29 |
| Chemical Properties | Back Directory | [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) |
| Safety Data | Back Directory | [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). |
| Hazard Information | Back Directory | [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). |
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