ChemicalBook--->CAS DataBase List--->58430-94-7

58430-94-7

58430-94-7 Structure

58430-94-7 Structure
IdentificationBack 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 PropertiesBack 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℃
[Cosmetics Ingredients Functions]

PERFUMING
[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 DataBack Directory
[RTECS ]

AK0840000
[TSCA ]

TSCA listed
[HS Code ]

2915.39.9000
[REACH Registrations]

Active
[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 InformationBack 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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