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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O3
Molecular Weight 208.2536
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTYLPARABEN

SMILES

CCCCCOC(=O)C1=CC=C(O)C=C1

InChI

InChIKey=ZNSSPLQZSUWFJT-UHFFFAOYSA-N
InChI=1S/C12H16O3/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8,13H,2-4,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H16O3
Molecular Weight 208.2536
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:03:02 GMT 2025
Edited
by admin
on Mon Mar 31 19:03:02 GMT 2025
Record UNII
SJV2E4C7DM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTYLPARABEN
Common Name English
NSC-309817
Preferred Name English
PENTYL 4-HYDROXYBENZOATE
Systematic Name English
PENTYL P-HYDROXYBENZOATE
Common Name English
PENTYL PARABEN
Common Name English
BENZOIC ACID, 4-HYDROXY-, PENTYL ESTER
Common Name English
AMYL P-HYDROXYBENZOATE
Common Name English
BENZOIC ACID, P-HYDROXY-, PENTYL ESTER
Common Name English
N-AMYL 4-HYDROXYBENZOATE
Common Name English
4-HYDROXYBENZOIC ACID N-AMYL ESTER
Common Name English
Code System Code Type Description
CAS
6521-29-5
Created by admin on Mon Mar 31 19:03:02 GMT 2025 , Edited by admin on Mon Mar 31 19:03:02 GMT 2025
PRIMARY
FDA UNII
SJV2E4C7DM
Created by admin on Mon Mar 31 19:03:02 GMT 2025 , Edited by admin on Mon Mar 31 19:03:02 GMT 2025
PRIMARY
PUBCHEM
23019
Created by admin on Mon Mar 31 19:03:02 GMT 2025 , Edited by admin on Mon Mar 31 19:03:02 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-408-9
Created by admin on Mon Mar 31 19:03:02 GMT 2025 , Edited by admin on Mon Mar 31 19:03:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID9047887
Created by admin on Mon Mar 31 19:03:02 GMT 2025 , Edited by admin on Mon Mar 31 19:03:02 GMT 2025
PRIMARY
NSC
309817
Created by admin on Mon Mar 31 19:03:02 GMT 2025 , Edited by admin on Mon Mar 31 19:03:02 GMT 2025
PRIMARY