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Details

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

Approval Year

PubMed

PubMed

TitleDatePubMed
The physical stability of thermally-stressed phospholipid-based emulsions containing methyl, propyl and heptyl parabens as model drugs.
2003 Oct 20
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Mechanisms of membrane transport of poorly soluble drugs: role of micelles in oral absorption processes.
2010 Mar
Comparative study on transcriptional activity of 17 parabens mediated by estrogen receptor α and β and androgen receptor.
2013 Jul
Substance Class Chemical
Created
by admin
on Tue Oct 22 14:27:28 UTC 2019
Edited
by admin
on Tue Oct 22 14:27:28 UTC 2019
Record UNII
K2CIJ448IX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYLPARABEN
FCC  
Common Name English
HEPTYL P-HYDROXYBENZOATE
Common Name English
HEPTYLHYDROXYBENZOATE
Systematic Name English
N-HEPTYL P-HYDROXYBENZOATE
Common Name English
NSC-309818
Code English
HEPTYLPARABEN [FCC]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.145
Created by admin on Tue Oct 22 14:27:28 UTC 2019 , Edited by admin on Tue Oct 22 14:27:28 UTC 2019
Code System Code Type Description
EPA CompTox
1085-12-7
Created by admin on Tue Oct 22 14:27:28 UTC 2019 , Edited by admin on Tue Oct 22 14:27:28 UTC 2019
PRIMARY
CAS
1085-12-7
Created by admin on Tue Oct 22 14:27:28 UTC 2019 , Edited by admin on Tue Oct 22 14:27:28 UTC 2019
PRIMARY
PUBCHEM
14138
Created by admin on Tue Oct 22 14:27:28 UTC 2019 , Edited by admin on Tue Oct 22 14:27:28 UTC 2019
PRIMARY
MESH
C481602
Created by admin on Tue Oct 22 14:27:28 UTC 2019 , Edited by admin on Tue Oct 22 14:27:28 UTC 2019
PRIMARY
WIKIPEDIA
HEPTYLPARABEN
Created by admin on Tue Oct 22 14:27:28 UTC 2019 , Edited by admin on Tue Oct 22 14:27:28 UTC 2019
PRIMARY
ECHA (EC/EINECS)
214-115-0
Created by admin on Tue Oct 22 14:27:28 UTC 2019 , Edited by admin on Tue Oct 22 14:27:28 UTC 2019
PRIMARY