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ChemicalBook >  Product Catalog >  Flavors and fragrances >  Synthetic fragrances >  Carboxylic acids and esters >  Aliphatic dicarboxylic acid esters >  3,5,5-TRIMETHYLHEXYL ACETATE

3,5,5-TRIMETHYLHEXYL ACETATE

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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
Mol File:
58430-94-7.mol
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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
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
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)
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Safety Information

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).
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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

Not classified

Trade name

Vanoris (IFF).

3,5,5-TRIMETHYLHEXYL ACETATESupplier

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