4-N-PROPYLBENZOIC ACID

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

CCCC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=ATZHGRNFEFVDDJ-UHFFFAOYSA-N

InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)

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: https://www.alfa.com/en/content/msds/USA/L01079.pdf

Causes skin irritation, eye irritation and may cause respiratory irritation.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Pesticide biodegradation study was conducted in 50 ml minimal salt medium, inoculated with1 ml of 24-h-old SG2 bacterial isolate belonged to Bacillus sp.bacterial culture and supplemented with cypermethrin (50 ppm). Analysis of biodegraded cypermethrin showed the presence of 4-propylbenzoate.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:12:59 GMT 2025` Edited by `admin` on `Mon Mar 31 21:12:59 GMT 2025`
Record UNII	3P1V85E45O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-168993

Preferred Name

English

4-N-PROPYLBENZOIC ACID

Common Name

English

Code System Code Type Description

PUBCHEM

137601