4-Pentylphenyl 4-propylbenzoate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H26O2
Molecular Weight	310.4299
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Pentylphenyl 4-propylbenzoate

Structure Search

SMILES

CCCCCC1=CC=C(OC(=O)C2=CC=C(CCC)C=C2)C=C1

InChI

InChIKey=WNBFPAKRCJNBBS-UHFFFAOYSA-N

InChI=1S/C21H26O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h9-16H,3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C21H26O2
Molecular Weight	310.4299
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:44:29 GMT 2025` Edited by `admin` on `Tue Apr 01 17:44:29 GMT 2025`
Record UNII	HSH7XXL3AP
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-Pentylphenyl 4-propylbenzoate

Systematic Name

English

Benzoic acid, 4-propyl-, 4-pentylphenyl ester

Preferred Name

English

p-Pentylphenyl p-propylbenzoate

Systematic Name

English

(4-Pentylphenyl) 4-propylbenzoate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID5068570

Created by admin on Tue Apr 01 17:44:29 GMT 2025 , Edited by admin on Tue Apr 01 17:44:29 GMT 2025

PRIMARY

FDA UNII

HSH7XXL3AP

Created by admin on Tue Apr 01 17:44:29 GMT 2025 , Edited by admin on Tue Apr 01 17:44:29 GMT 2025

PRIMARY

PUBCHEM

170879

Created by admin on Tue Apr 01 17:44:29 GMT 2025 , Edited by admin on Tue Apr 01 17:44:29 GMT 2025

PRIMARY

ECHA (EC/EINECS)

256-684-8

Created by admin on Tue Apr 01 17:44:29 GMT 2025 , Edited by admin on Tue Apr 01 17:44:29 GMT 2025

PRIMARY

CAS

50649-60-0

Created by admin on Tue Apr 01 17:44:29 GMT 2025 , Edited by admin on Tue Apr 01 17:44:29 GMT 2025

PRIMARY