2114-29-6

Basic information

• Product Name: 1-phenylpropyl acetate
• Synonyms: 1-phenylpropyl acetate;ETHYLPHENYLCARBINYLACETATE;1-Phenylpropylacetat;alpha-ethyl-benzenemethano acetate;Benzenemethanol, .alpha.-Ethyl-, acetate;Acetic acid 1-phenylpropyl ester;α-Ethylbenzenemethanol acetate;α-Ethylbenzyl acetate
• CAS NO: 2114-29-6
• Molecular Formula: C11H14O2
• Molecular Weight: 178.22766
• EINECS: 218-312-2
• Mol File: 2114-29-6.mol
• Article Data: 116

Chemical Properties

• Boiling Point: 229.5°Cat760mmHg
• Flash Point: 91.7°C
• Appearance: /
• Density: 1.012g/cm³
• Vapor Pressure: 0.0693mmHg at 25°C
• Refractive Index: 1.496
• CAS DataBase Reference: 1-phenylpropyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-phenylpropyl acetate(2114-29-6)
• EPA Substance Registry System: 1-phenylpropyl acetate(2114-29-6)

Safety Data

• Hazardous Substances Data: 2114-29-6(Hazardous Substances Data)

Usage

General Description

1-Phenylpropyl acetate, also known as alpha-Phenylpropyl acetate, is a chemical compound with the formula C11H14O2. It is an ester, characterized by a sweet, floral odor, and is commonly used as a fragrance ingredient in perfumes and other cosmetic products. It is also found in various fruits, such as apple and strawberry, contributing to their aroma. 1-Phenylpropyl acetate is produced through the esterification of phenylpropyl alcohol and acetic acid, and is used in the flavor and fragrance industry due to its pleasant and long-lasting scent. It is also used in food products as a flavoring agent, providing a sweet and fruity note to enhance the overall taste.

InChI:InChI=1/C11H14O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3

Upstream product

• 100-42-5 styrene 
• 546-67-8 lead(IV) tetraacetate 
• 873-66-5 1-propenylbenzene 
• 64-19-7 acetic acid 
• 766-90-5 cis-1-phenyl-1-propylene 
• 103-65-1 phenylpropane 
• 93-54-9 1-Phenyl-1-propanol 
• 108-24-7 acetic anhydride 
• 141-78-6 ethyl acetate 
• 93-55-0 1-phenyl-propan-1-one 
• 873-49-4 cyclopropylbenzene 
• 1600-27-7 mercury(II) diacetate 
• 74-96-4 ethyl bromide 
• 581-55-5 benzylidene 1,1-diacetate 

Downstream Products

• 1565-74-8 (R)-1-phenyl-1-propanol 
• 613-87-6 (S)-1-phenyl-1-propanol 
• 2114-29-6 (R)-1-phenylpropyl acetate 
• 2114-29-6 (S)-1-phenylpropyl acetate 
• 10340-48-4 hex-5-en-3-ylbenzene 
• 7642-42-4 (E)-1-phenylprop-1-en-1-yl acetate 
• 93-54-9 1-Phenyl-1-propanol 
• 34835-98-8 1-phenyl-1-p-tolyl-propane 
• 1391941-05-1 1-methyl-2-(1-phenylpropyl)benzene 

Relevant articles and documents

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PQXdpap: Helical Poly(quinoxaline-2,3-diyl)s Bearing 4-(Dipropylamino)pyridin-3-yl Pendants as Chirality-Switchable Nucleophilic Catalysts for the Kinetic Resolution of Secondary Alcohols

Helically chiral poly(quinoxaline-2,3-diyl)s bearing 4-(dipropylamino)pyridin-3-yl pendants at the 5-position of the quinoxaline ring (PQXdpap) exhibited high catalytic activities and moderate to high selectivities (up to s = 87) in the acylative kinetic resolution of secondary alcohols. The solvent-dependent helical chirality switching of PQXdpap between pure toluene and a 1:1 mixture of toluene and 1,1,2-trichloroethane enabled the preparation of either compound of a pair of enantiomerically pure alcohols (>99% ee) from a single catalyst.

Evaluation of gem-Diacetates as Alternative Reagents for Enzymatic Regio-and Stereoselective Acylation of Alcohols

Geminal diacetates have been used as sustainable acyl donors for enzymatic acylation of chiral and nonchiral alcohols. Especially, it was revealed that geminal diacetates showed higher reactivity than vinyl acetate for hydrolases that are sensitive to acetaldehyde. Under optimized conditions for enzymatic acylation, several synthetically relevant saturated and unsaturated acetates of various primary alcohols were obtained in very high yields up to 98% without E/Z isomerization of the double bond. Subsequently, the acyl donor was recreated from the resulting aldehyde and reused constantly in acylation. Therefore, the developed process is characterized by high atomic efficiency. Moreover, it was shown that acylation using geminal diacetates resulted in remarkable regioselectivity by discriminating among the primary and secondary hydroxyl groups in 1-phenyl-1,3-propanediol providing exclusively 3-acetoxy-1-phenyl-propan-1-ol in good yield. Further, enzymatic kinetic resolution (EKR) and chemoenzymatic dynamic kinetic resolution (DKR) protocols were developed using geminal diacetate as an acylating agent, resulting in chiral acetates in high yields up to 94% with enantiomeric excesses exceeding 99%.

Activity and specificity studies of the new thermostable esterase EstDZ2

In this paper, we study the activity and specificity of EstDZ2, a new thermostable carboxyl esterase of unknown function, which was isolated from a metagenome library from a Russian hot spring. The biocatalytic reaction employing EstDZ2 proved to be an efficient method for the hydrolysis of aryl p-, o- or m-substituted esters of butyric acid and esters of secondary alcohols. Docking studies revealed structural features of the enzyme that led to activity differences among the different substrates.