5451-88-7

Basic information

• Product Name: 3-phenylpropyl valerate
• Synonyms: 3-phenylpropyl valerate;Pentanoic acid, 3-phenylpropyl ester;Valeric acid 3-phenylpropyl ester;Valeric acid hydrocinnamyl ester;Nsc21873;phenyl propyl valerate
• CAS NO: 5451-88-7
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.3074
• EINECS: 226-690-5
• Mol File: 5451-88-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 313.9°Cat760mmHg
• Flash Point: 119.3°C
• Appearance: /
• Density: 0.98g/cm³
• Vapor Pressure: 0.000482mmHg at 25°C
• Refractive Index: 1.493
• CAS DataBase Reference: 3-phenylpropyl valerate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-phenylpropyl valerate(5451-88-7)
• EPA Substance Registry System: 3-phenylpropyl valerate(5451-88-7)

Safety Data

• Hazardous Substances Data: 5451-88-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3

Upstream product

• 122-97-4 3-Phenyl-1-propanol 
• 109-52-4 valeric acid 
• 693-04-9 butyl magnesium bromide 
• 170895-01-9 1-(3-phenylpropoxycarbonyl)-1H-imidazole 
• 539-82-2 ethyl n-valerate 
• 70770-06-8 1-benzyloxy-3-phenylpropane 
• 100-39-0 benzyl bromide 

Relevant articles and documents

Visible-light-promoted conversion of alkyl benzyl ether to alkyl ester or alcohol via O-α-sp3 C-H cleavage

A mild and high-yielding visible-light-promoted conversion of alkyl benzyl ethers to the alkyl esters or alkyl alcohols was developed. Mechanistic studies provided evidence for a radical chain reaction involving the homolytic cleavage of O-α-sp3 C-H bonds in the substrate as one of the propagation steps. We propose that α-bromoethers are key intermediates in the transformation.

A new method for the esterification of carboxylic acids with various alcohols by using di-2-thienyl carbonate, a new coupling reagent

Esterification of carboxylic acids with alcohols by using di-2-thienyl carbonate in the presence of a catalytic amount of 4-(dimethylamino)pyridine (DMAP) proceeded smoothly under mild conditions to afford the corresponding esters and 2(5H)-thiophenone in good to high yields.

An Efficient Esterification Reaction between Equimolar Amounts of Free Carboxylic Acids and Alcohols by the Combined Use of Octamethylcyclotetrasiloxane and a Catalytic Amount of Titanium(IV) Chloride Tris(trifluoromethanesulfonate)

Various carboxylic esters are prepared in good to high yields from equimolar amounts of free carboxylic acids and alcohols by the combined use of octamethylcyclotetrasiloxane and a catalytic amount of TiCl(OTf)3.