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58430-94-7

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Basic Information
CAS No.: 58430-94-7
Name: 3,5,5-TRIMETHYLHEXYL ACETATE
Molecular Structure:
Molecular Structure of 58430-94-7 (3,5,5-TRIMETHYLHEXYL ACETATE)
Formula: C11H22 O2
Molecular Weight: 186.294
Synonyms: 1-Hexanol,3,5,5-trimethyl-, acetate (9CI); 3,5,5-Trimethylhexyl acetate; Vanoris
EINECS: 261-245-9
Density: 0,87 g/cm3
Melting Point: -26°C (estimate)
Boiling Point: 193.2 °C at 760 mmHg
Flash Point: 79°C
Solubility: insoluble in water, soluble in organic solvents
Appearance: clear colourless liquid
Safety: Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
PSA: 26.30000
LogP: 3.01190
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Chemistry

Chemistry informtion about 3,5,5-Trimethylhexyl Acetate (CAS NO.58430-94-7) is:
IUPAC 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
MF: C11H22O2
MW: 186.29
EINECS: 261-245-9 
Density: 0.872 g/cm3
Flash Point: 91.3 °C
Boiling Point: 210 °C at 760 mmHg
Vapour Pressure: 0.197 mmHg at 25°C 
Enthalpy of Vaporization: 44.63 kJ/mol
Following is the molecular structure of 3,5,5-Trimethylhexyl Acetate (CAS NO.58430-94-7) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 1009, 1974.
rat LD50 oral 4250mg/kg (4250mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 1009, 1974.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS. 
RTECS: AK0840000

Specification

3,5,5-Trimethylhexyl Acetate (CAS NO.58430-94-7) is a colourless liquid with a floral, fruity odour.