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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H30O4
Molecular Weight 334.4498
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHEXYL PHTHALATE

SMILES

CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC

InChI

InChIKey=KCXZNSGUUQJJTR-UHFFFAOYSA-N
InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H30O4
Molecular Weight 334.4498
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Biodegradation of phthalate esters by two bacteria strains.
2004 Apr
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Determination of phthalates and adipate in bottled water by headspace solid-phase microextraction and gas chromatography/mass spectrometry.
2008 Jan 18
Enzymatic hydrolysis of structurally diverse phthalic acid esters by porcine and bovine pancreatic cholesterol esterases.
2010 Dec
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:38:17 GMT 2023
Edited
by admin
on Fri Dec 15 18:38:17 GMT 2023
Record UNII
42MAH1QFG5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHEXYL PHTHALATE
HSDB  
Systematic Name English
NSC-4817
Code English
1,2-BENZENEDICARBOXYLIC ACID, DIHEXYL ESTER
Common Name English
DI-N-HEXYL PHTHALATE
Common Name English
DIHEXYL BENZENE-1,2-DICARBOXYLATE
Systematic Name English
DIHEXYL PHTHALATE [HSDB]
Common Name English
Code System Code Type Description
HSDB
4490
Created by admin on Fri Dec 15 18:38:17 GMT 2023 , Edited by admin on Fri Dec 15 18:38:17 GMT 2023
PRIMARY
CAS
84-75-3
Created by admin on Fri Dec 15 18:38:17 GMT 2023 , Edited by admin on Fri Dec 15 18:38:17 GMT 2023
PRIMARY
PUBCHEM
6786
Created by admin on Fri Dec 15 18:38:17 GMT 2023 , Edited by admin on Fri Dec 15 18:38:17 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-559-5
Created by admin on Fri Dec 15 18:38:17 GMT 2023 , Edited by admin on Fri Dec 15 18:38:17 GMT 2023
PRIMARY
MESH
C027387
Created by admin on Fri Dec 15 18:38:17 GMT 2023 , Edited by admin on Fri Dec 15 18:38:17 GMT 2023
PRIMARY
FDA UNII
42MAH1QFG5
Created by admin on Fri Dec 15 18:38:17 GMT 2023 , Edited by admin on Fri Dec 15 18:38:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID6025068
Created by admin on Fri Dec 15 18:38:17 GMT 2023 , Edited by admin on Fri Dec 15 18:38:17 GMT 2023
PRIMARY
NSC
4817
Created by admin on Fri Dec 15 18:38:17 GMT 2023 , Edited by admin on Fri Dec 15 18:38:17 GMT 2023
PRIMARY