87708-44-9

Basic information

• Product Name: 1-phenylethyl 2-methylbutyrate
• Synonyms: 1-phenylethyl 2-methylbutyrate;2-Methylbutanoic acid 1-phenylethyl ester;Einecs 289-334-8
• CAS NO: 87708-44-9
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28082
• EINECS: 289-334-8
• Mol File: 87708-44-9.mol

Chemical Properties

• Boiling Point: 262°C at 760 mmHg
• Flash Point: 94.5°C
• Appearance: /
• Density: 0.985g/cm³
• Vapor Pressure: 0.0112mmHg at 25°C
• Refractive Index: 1.491
• CAS DataBase Reference: 1-phenylethyl 2-methylbutyrate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-phenylethyl 2-methylbutyrate(87708-44-9)
• EPA Substance Registry System: 1-phenylethyl 2-methylbutyrate(87708-44-9)

Safety Data

• Hazardous Substances Data: 87708-44-9(Hazardous Substances Data)

Usage

Molecular Weight

222.29 g/mol

Appearance

Colorless to pale yellow liquid

Aroma

Sweet, fruity, and floral

Usage

Flavoring agent in the food and beverage industry (fruit-flavored products, confectionery, baked goods) and fragrance industry (perfumes, colognes, personal care products)

Properties

Strong and long-lasting aroma

Safety

Considered safe for consumption and use in cosmetics when used in accordance with regulatory guidelines.

InChI:InChI=1/C13H18O2/c1-4-10(2)13(14)15-11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3

Upstream product

• 90731-30-9 1-phenylethyl (E)-α-methylcrotonate 
• 80-59-1 Tiglic acid 
• 98-85-1 1-Phenylethanol 

Downstream Products

• 1565-80-6 (2S)-2-methyl-1-butanol 

Relevant articles and documents

Highly enantioselective iridium-catalyzed hydrogenation of α,β-unsaturated esters

α,β-Unsaturated esters have been employed as substrates in iridium-catalyzed asymmetric hydrogenation. Full conversions and good to excellent enantioselectivities (up to 99 % ee) were obtained for a broad range of substrates with both aromatic- and aliphatic substituents on the prochiral carbon. The hydrogenated products are highly useful as building blocks in the synthesis of a variety of natural products and pharmaceuticals. Asymmetric hydrogenation: A variety of α,β-unsaturated esters were hydrogenated with high enantioselectivities (see scheme). The hydrogenated products have been used in synthetic transformations as well as in formal total syntheses. Copyright

A KINETIC STUDY ON ASYMMETRIC TRANSFER HYDROGENATION OF UNSATURATED ACIDS AND ESTERS BY ALCOHOLS WITH BINUCLEAR RUTHENIUM(II) CHIRAL DIPHOSPHINE COMPLEXES

Kinetic investigation of the 3> catalysed transfer hydrogenation of unsaturated acids and esters by alcohols indicated that the catalytically active > complex generated from the 3> > + 2> reaction afforded chiral hydrogenated products via the reaction of a hydrogen acceptor-> (hydrogen donor) complex and of a hydrogen donor-> (hydrogen acceptor) complex. 31P N.m.r. analysis of 3> in solution also suggested the possibility of 3> formation from 3>.The reaction mechanism is also discussed on the basis of isotope effects observed in the 3> catalysed reaction between deuteriated benzyl alcohols and unsaturated species.