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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PENTYLBENZOIC ACID

SMILES

CCCCCC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=CWYNKKGQJYAHQG-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C12H16O2
Molecular Weight 192.2542
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 19:20:21 GMT 2025
Edited
by admin
on Tue Apr 01 19:20:21 GMT 2025
Record UNII
ET3KL92DDG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-PENTYLBENZOIC ACID
Systematic Name English
NSC-169024
Preferred Name English
BENZOIC ACID, 4-PENTYL-
Common Name English
BENZOIC ACID, P-PENTYL-
Systematic Name English
4-AMYLBENZOIC ACID
Systematic Name English
P-PENTYLBENZOIC ACID
Systematic Name English
P-AMYLBENZOIC ACID
Systematic Name English
4-N-PENTYLBENZOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
33479
Created by admin on Tue Apr 01 19:20:21 GMT 2025 , Edited by admin on Tue Apr 01 19:20:21 GMT 2025
PRIMARY
FDA UNII
ET3KL92DDG
Created by admin on Tue Apr 01 19:20:21 GMT 2025 , Edited by admin on Tue Apr 01 19:20:21 GMT 2025
PRIMARY
CAS
26311-45-5
Created by admin on Tue Apr 01 19:20:21 GMT 2025 , Edited by admin on Tue Apr 01 19:20:21 GMT 2025
PRIMARY
ECHA (EC/EINECS)
247-607-9
Created by admin on Tue Apr 01 19:20:21 GMT 2025 , Edited by admin on Tue Apr 01 19:20:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID6067200
Created by admin on Tue Apr 01 19:20:21 GMT 2025 , Edited by admin on Tue Apr 01 19:20:21 GMT 2025
PRIMARY
NSC
169024
Created by admin on Tue Apr 01 19:20:21 GMT 2025 , Edited by admin on Tue Apr 01 19:20:21 GMT 2025
PRIMARY