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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20O3
Molecular Weight 236.3068
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYLPARABEN

SMILES

CCCCCCCOC(=O)C1=CC=C(O)C=C1

InChI

InChIKey=ZTJORNVITHUQJA-UHFFFAOYSA-N
InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H20O3
Molecular Weight 236.3068
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Comparative study on transcriptional activity of 17 parabens mediated by estrogen receptor α and β and androgen receptor.
2013-07
Mechanisms of membrane transport of poorly soluble drugs: role of micelles in oral absorption processes.
2010-03
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006-11
The physical stability of thermally-stressed phospholipid-based emulsions containing methyl, propyl and heptyl parabens as model drugs.
2003-10-20
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:50:40 GMT 2025
Edited
by admin
on Mon Mar 31 17:50:40 GMT 2025
Record UNII
K2CIJ448IX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYLPARABEN
FCC  
Common Name English
NSC-309818
Preferred Name English
HEPTYL P-HYDROXYBENZOATE
Common Name English
HEPTYLHYDROXYBENZOATE
Systematic Name English
N-HEPTYL P-HYDROXYBENZOATE
Common Name English
HEPTYLPARABEN [FCC]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.145
Created by admin on Mon Mar 31 17:50:40 GMT 2025 , Edited by admin on Mon Mar 31 17:50:40 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID4022523
Created by admin on Mon Mar 31 17:50:40 GMT 2025 , Edited by admin on Mon Mar 31 17:50:40 GMT 2025
PRIMARY
CAS
1085-12-7
Created by admin on Mon Mar 31 17:50:40 GMT 2025 , Edited by admin on Mon Mar 31 17:50:40 GMT 2025
PRIMARY
PUBCHEM
14138
Created by admin on Mon Mar 31 17:50:40 GMT 2025 , Edited by admin on Mon Mar 31 17:50:40 GMT 2025
PRIMARY
MESH
C481602
Created by admin on Mon Mar 31 17:50:40 GMT 2025 , Edited by admin on Mon Mar 31 17:50:40 GMT 2025
PRIMARY
FDA UNII
K2CIJ448IX
Created by admin on Mon Mar 31 17:50:40 GMT 2025 , Edited by admin on Mon Mar 31 17:50:40 GMT 2025
PRIMARY
NSC
309818
Created by admin on Mon Mar 31 17:50:40 GMT 2025 , Edited by admin on Mon Mar 31 17:50:40 GMT 2025
PRIMARY
WIKIPEDIA
HEPTYLPARABEN
Created by admin on Mon Mar 31 17:50:40 GMT 2025 , Edited by admin on Mon Mar 31 17:50:40 GMT 2025
PRIMARY
ECHA (EC/EINECS)
214-115-0
Created by admin on Mon Mar 31 17:50:40 GMT 2025 , Edited by admin on Mon Mar 31 17:50:40 GMT 2025
PRIMARY