PROPYL BENZOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12O2
Molecular Weight	164.2011
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCOC(=O)C1=CC=CC=C1

InChI

InChIKey=UDEWPOVQBGFNGE-UHFFFAOYSA-N

InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H12O2
Molecular Weight	164.2011
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.azom.com/article.aspx?ArticleID=11532
Curator's Comment: Description was created based on several sources, including http://foodb.ca/compounds/FDB008434 and https://books.google.ru/books?id=XZ2QB7bu5LwC&pg=PA508&lpg=PA508&dq=PROPYL+BENZOATE+approved&source=bl&ots=6N8YszDVu8&sig=TSfRtw8B9TSFbGcNRMOBEoWteb8&hl=en&sa=X&ved=0ahUKEwi15OiDraXPAhXmdpoKHeG9D00Q6AEIUjAK#v=onepage&q=PROPYL%20BENZOATE%20approved&f=false Retrieved from Handbook of Preservatives By Michael Ash, Irene Ash, p. 508

Propyl benzoate, also known as benzoic acid propyl ester, is a naturally-occurring chemical compound found in clove stems and sweet cherries. This organic compound is used in a number of applications. It is characterized by a nutty odor and tastes like a sweet fruit, and hence used as a synthetic flavoring agent in foods. It also has antimicrobial properties and used as a preservative in the cosmetics industry. It is on FDA CFR - Code of Federal Regulations Title 21 list.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Isolation and quantitative analysis of phenolic antioxidants, free sugars, and polyols from mango (Mangifera indica L.) stem bark aqueous decoction used in Cuba as a nutritional supplement.	2002 Feb 13	11829642
Study of the competitive isotherm model and the mass transfer kinetics for a BET binary system.	2003 Jun 27	12899297
Effect of the flow rate on the measurement of adsorption data by dynamic frontal analysis.	2005 Mar 25	15844481
Characterization of seed-specific benzoyloxyglucosinolate mutations in Arabidopsis thaliana.	2007 Sep	17651367
Restricted-access media development for direct analysis of drugs in biofluids using capillary liquid chromatography.	2008 Jul	18392755
The seed composition of Arabidopsis mutants for the group 3 sulfate transporters indicates a role in sulfate translocation within developing seeds.	2010 Oct	20702726
Combined hollow fiber-based liquid-liquid-liquid microextraction and in-situ differential pulse voltammetry to improve selectivity, sensitivity, and interference elimination in electrochemical analysis.	2010 Sep 15	20801377

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Topical

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:00:22 GMT 2023` Edited by `admin` on `Fri Dec 15 15:00:22 GMT 2023`
Record UNII	VWK210B7WS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PROPYL BENZOATE

Official Name

English

PROPYL BENZOATE [INCI]

Common Name

English

BENZOIC ACID, PROPYL ESTER

Common Name

English

NSC-229333

Code

English

PROPYL BENZENECARBOXYLATE

Systematic Name

English

PROPYL BENZOATE [FHFI]

Common Name

English

N-PROPYL BENZOATE

Common Name

English

FEMA NO. 2931

Code

English

Classification Tree Code System Code

JECFA EVALUATION

PROPYL BENZOATE