Hexadecyl 2-ethylhexanoate

Basic Information

View in Editor

CAS Number

90411-68-0

Molecular Formula

C24H48O2

Molecular Weight

368.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

View in Editor

CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC

InChI

InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3

InChIKey

XJNUECKWDBNFJV-UHFFFAOYSA-N

LogP

8.227300000000008

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

288

Synonyms & References

English

Hexanoic acid,2-ethyl-, C16-18-alkyl esters
Hexadecyl 2-ethylhexanoate
Perceline oil
Cetyl 2-ethylhexanoate
cetyl ethylhexanoate
HEXANOIC ACID, 2-ETHYL-, HEXADECYL ESTER
Schercemol CO
Exceparl HO
Tegosoft CO
Cetearyl octanoate
Pelemol 168
Hest CSO (Salt/Mix)
Crodamol CAP (Salt/Mix)
Tegosoft liquid (Salt/Mix)
Lanol 1688 (Salt/Mix)
CETYL ETHYLHEXANO- ATE
2-Ethylhexanoic acid cetyl ester
XJNUECKWDBNFJV-UHFFFAOYSA-N
2-Ethylhexanoic acid, cetyl ester
D
Cetearyl/ethylhexanoate
Cetearyl Ethylhexanoate

FAQ

What are the physical and chemical properties of Hexadecyl 2-ethylhexanoate (CAS: 90411-68-0)?

Hexadecyl 2-ethylhexanoate (CAS: 90411-68-0) is a clear, colorless liquid with a molecular weight of approximately 350.5 g/mol. It has a high flash point of around 122°C and a low volatility. The compound is slightly soluble in water but miscible with common organic solvents. It is relatively stable under normal conditions but can polymerize upon prolonged exposure to heat or light. It is moderately reactive towards nucleophiles.

How is Hexadecyl 2-ethylhexanoate (CAS: 90411-68-0) typically synthesized?

Hexadecyl 2-ethylhexanoate is typically synthesized via esterification of 2-ethylhexanoic acid with hexadecanol in the presence of a strong acid catalyst, such as sulfuric acid. The reaction is conducted under reflux conditions to ensure complete esterification. The process yields up to 90% of the desired product with high selectivity.

What industries use Hexadecyl 2-ethylhexanoate (CAS: 90411-68-0)?

Hexadecyl 2-ethylhexanoate (CAS: 90411-68-0) is used in various industries, including the fragrance and flavor industry for its aromatic properties, as a plasticizer in polymer formulations, and as a lubricant in mechanical applications. It is also utilized in the pharmaceutical industry for its solubilizing and emulsifying properties.

What precautions should be taken when handling Hexadecyl 2-ethylhexanoate (CAS: 90411-68-0)?

When handling Hexadecyl 2-ethylhexanoate (CAS: 90411-68-0), it is essential to use appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. Fume hoods should be used during handling to minimize inhalation risks. In case of a spill, it should be cleaned up immediately with appropriate absorbents and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.