U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-(HEXYLOXY)BENZOIC ACID

SMILES

CCCCCCOC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=HBQUXMZZODHFMJ-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2802
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 18:49:07 GMT 2025
Edited
by admin
on Tue Apr 01 18:49:07 GMT 2025
Record UNII
P8J3U7WL78
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-(HEXYLOXY)BENZOIC ACID
Systematic Name English
NSC-28663
Preferred Name English
BENZOIC ACID, 4-(HEXYLOXY)-
Common Name English
4-(HEXYLOXY)BENZOIC ACID
Systematic Name English
BENZOIC ACID, P-(HEXYLOXY)-
Systematic Name English
4-HEXYLOXYBENZOIC ACID
Systematic Name English
Code System Code Type Description
CAS
1142-39-8
Created by admin on Tue Apr 01 18:49:07 GMT 2025 , Edited by admin on Tue Apr 01 18:49:07 GMT 2025
PRIMARY
PUBCHEM
70834
Created by admin on Tue Apr 01 18:49:07 GMT 2025 , Edited by admin on Tue Apr 01 18:49:07 GMT 2025
PRIMARY
FDA UNII
P8J3U7WL78
Created by admin on Tue Apr 01 18:49:07 GMT 2025 , Edited by admin on Tue Apr 01 18:49:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
214-534-9
Created by admin on Tue Apr 01 18:49:07 GMT 2025 , Edited by admin on Tue Apr 01 18:49:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID2061563
Created by admin on Tue Apr 01 18:49:07 GMT 2025 , Edited by admin on Tue Apr 01 18:49:07 GMT 2025
PRIMARY
NSC
28663
Created by admin on Tue Apr 01 18:49:07 GMT 2025 , Edited by admin on Tue Apr 01 18:49:07 GMT 2025
PRIMARY