59587-44-9

Basic information

• Product Name: 2-ETHYLHEXYL PELARGONATE
• Synonyms: 2-ETHYLHEXYL PELARGONATE;nonanoicacid,2-ethylhexylester;2-ethylhexyl nonanoate;ETHYLHEXYL PELARGONATE;2-ETHYLHEXYL PELARGONATE-DISCONTINUED;Einecs 261-819-9
• CAS NO: 59587-44-9
• Molecular Formula: C17H34O2
• Molecular Weight: 270.45
• EINECS: 261-819-9
• Mol File: 59587-44-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 311.8°C at 760 mmHg
• Flash Point: 144.1°C
• Appearance: /
• Density: 0.864g/cm³
• Vapor Pressure: 0.000549mmHg at 25°C
• Refractive Index: 1.44
• CAS DataBase Reference: 2-ETHYLHEXYL PELARGONATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ETHYLHEXYL PELARGONATE(59587-44-9)
• EPA Substance Registry System: 2-ETHYLHEXYL PELARGONATE(59587-44-9)

Safety Data

• Hazardous Substances Data: 59587-44-9(Hazardous Substances Data)

Usage

General Description

2-ETHYLHEXYL PELARGONATE is a chemical compound that is commonly used as a fragrance ingredient and emollient in personal care products such as lotions, creams, and cosmetics. It is derived from pelargonic acid and 2-ethylhexanol, and is known for its light, non-greasy texture that makes it ideal for use in skincare formulations. This chemical is also used as a plasticizer in the production of plastics and rubbers, and as a solvent in printing inks and coatings. It is considered safe for use in cosmetics and personal care products, and has low toxicity and irritation potential. However, it is important to use this chemical in accordance with safety guidelines to minimize any potential risks.

InChI:InChI=1/C17H34O2/c1-4-7-9-10-11-12-14-17(18)19-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3

Upstream product

• 111-66-0 oct-1-ene 
• 201230-82-2 carbon monoxide 

Relevant articles and documents

Directing Selectivity to Aldehydes, Alcohols, or Esters with Diphobane Ligands in Pd-Catalyzed Alkene Carbonylations

Phenylene-bridged diphobane ligands with different substituents (CF3, H, OMe, (OMe)2, tBu) have been synthesized and applied as ligands in palladium-catalyzed carbonylation reactions of various alkenes. The performance of these ligands in terms of selectivity in hydroformylation versus alkoxycarbonylation has been studied using 1-hexene, 1-octene, and methyl pentenoates as substrates, and the results have been compared with the ethylene-bridged diphobane ligand (BCOPE). Hydroformylation of 1-octene in the protic solvent 2-ethyl hexanol results in a competition between hydroformylation and alkoxycarbonylation, whereby the phenylene-bridged ligands, in particular, the trifluoromethylphenylene-bridged diphobane L1 with an electron-withdrawing substituent, lead to ester products via alkoxycarbonylation, whereas BCOPE gives predominantly alcohol products (n-nonanol and isomers) via reductive hydroformylation. The preference of BCOPE for reductive hydroformylation is also seen in the hydroformylation of 1-hexene in diglyme as the solvent, producing heptanol as the major product, whereas phenylene-bridged ligands show much lower activities in this case. The phenylene-bridged ligands show excellent performance in the methoxycarbonylation of 1-octene to methyl nonanoate, significantly better than BCOPE, the opposite trend seen in hydroformylation activity with these ligands. Studies on the hydroformylation of functionalized alkenes such as 4-methyl pentenoate with phenylene-bridged ligands versus BCOPE showed that also in this case, BCOPE directs product selectivity toward alcohols, while phenylene-bridge diphobane L2 favors aldehyde formation. In addition to ligand effects, product selectivities are also determined by the nature and the amount of the acid cocatalyst used, which can affect substrate and aldehyde hydrogenation as well as double bond isomerization.