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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H26O4S
Molecular Weight 338.462
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isooctyl 2-mercaptoethyl phthalate

SMILES

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

InChI

InChIKey=KWNLPAQLPZUUKG-UHFFFAOYSA-N
InChI=1S/C18H26O4S/c1-14(2)8-4-3-7-11-21-17(19)15-9-5-6-10-16(15)18(20)22-12-13-23/h5-6,9-10,14,23H,3-4,7-8,11-13H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Isooctyl 2-mercaptoethyl phthalate
Systematic Name English
2-Mercaptoethyl isooctyl phthalate
Systematic Name English
1-O-(6-methylheptyl) 2-O-(2-sulfanylethyl) benzene-1,2-dicarboxylate
Systematic Name English
1,2-Benzenedicarboxylic acid, isooctyl 2-mercaptoethyl ester
Systematic Name English
1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester
Systematic Name English
Code System Code Type Description
FDA UNII
C48SV7QZZ6
Created by admin on Sat Dec 16 12:40:00 GMT 2023 , Edited by admin on Sat Dec 16 12:40:00 GMT 2023
PRIMARY
CAS
67907-16-8
Created by admin on Sat Dec 16 12:40:00 GMT 2023 , Edited by admin on Sat Dec 16 12:40:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID2070843
Created by admin on Sat Dec 16 12:40:00 GMT 2023 , Edited by admin on Sat Dec 16 12:40:00 GMT 2023
PRIMARY
PUBCHEM
106126
Created by admin on Sat Dec 16 12:40:00 GMT 2023 , Edited by admin on Sat Dec 16 12:40:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
267-736-4
Created by admin on Sat Dec 16 12:40:00 GMT 2023 , Edited by admin on Sat Dec 16 12:40:00 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966