3,5,5-trimethylhexanoic acid

Structural formula
Simplified structural formula without stereochemistry
General
Surname	3,5,5-trimethylhexanoic acid
other names	Isononanoic acid (C 9 carboxylic acid mixture)
Molecular formula	C 9 H 18 O 2
Brief description	colorless liquid with a faint odor
External identifiers / databases
CAS number 3302-10-1 EC number 221-975-0 ECHA InfoCard 100,019,978 PubChem 90960 Wikidata Q15725607
properties
Molar mass	158.24 g mol −1
Physical state	liquid
density	0.899 g cm −3
Melting point	<−60 ° C
boiling point	230-240 ° C
Vapor pressure	0.04 hPa (20 ° C)
solubility	slightly soluble in water (approx. 2 g l −1 at 20 ° C) miscible with most organic solvents
safety instructions
GHS labeling of hazardous substances danger H and P phrases H: 302-315-318 P: 280-301 + 310-302 + 352-305 + 351 + 338-310-362
As far as possible and customary, SI units are used. Unless otherwise noted, the data given apply to standard conditions .

3,5,5-Trimethylhexanoic acid is a chemical compound from the group of carboxylic acids .

Extraction and presentation

3,5,5-Trimethylhexanoic acid can be obtained by oxidation of isononylaldehyde , which in turn is obtained from diisobutene . This creates a mixture of isomeric, branched-chain carboxylic acids with nine carbon atoms, called isononanoic acid, of which more than 90% consists of 3,5,5-trimethylhexanoic acid.

properties

3,5,5-Trimethylhexanoic acid is a slightly volatile, colorless liquid with a faint odor that is sparingly soluble in water. Your aqueous solution is acidic.

use

3,5,5-Trimethylhexanoic acid is used as an intermediate for metal salts, acid chlorides , esters and other materials that have many uses.

safety instructions

In 2016, 3,5,5-trimethylhexanoic acid was included in the EU's ongoing action plan ( CoRAP ) in accordance with Regulation (EC) No. 1907/2006 (REACH) as part of substance evaluation . The effects of the substance on human health and the environment are re-evaluated and, if necessary, follow-up measures are initiated. The reasons for the uptake of 3,5,5-trimethylhexanoic acid were concerns regarding exposure of workers and the possible danger from reproductive properties. The re-evaluation should be carried out by Spain from 2020 .

Individual evidence

1. ↑ ^{a b c d e f g h i j} Entry on 3,5,5-trimethylhexanoic acid in the GESTIS substance database of the IFA , accessed on March 19, 2016(JavaScript required) .
2. ↑ ^{a b c} Toxicological assessment of isononanoic acid (PDF) at the professional association for raw materials and chemical industry (BG RCI), accessed on March 19, 2016.
3. ↑ Community rolling action plan ( CoRAP ) of the European Chemicals Agency (ECHA): 3,5,5-trimethylhexanoic acid , accessed on March 26, 2019.