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
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

Download

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