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

Details

Stereochemistry MIXED
Molecular Formula C26H42O4
Molecular Weight 418.6093
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIS(3,5,5-TRIMETHYLHEXYL) PHTHALATE

SMILES

CC(CCOC(=O)C1=C(C=CC=C1)C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C

InChI

InChIKey=GDJOUZYAIHWDCA-UHFFFAOYSA-N
InChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3

HIDE SMILES / InChI

Molecular Formula C26H42O4
Molecular Weight 418.6093
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:55:13 GMT 2023
Edited
by admin
on Sat Dec 16 01:55:13 GMT 2023
Record UNII
19ND350H65
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS(3,5,5-TRIMETHYLHEXYL) PHTHALATE
Systematic Name English
BIS(3,5,5-TRIMETHYLHEXYL) BENZENE-1,2-DICARBOXYLATE
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, 1,2-BIS(3,5,5-TRIMETHYLHEXYL) ESTER
Systematic Name English
ALPHA-DINONYL PHTHALATE
Common Name English
PHTHALIC ACID BIS(3,5,5-TRIMETHYLHEXYL) ESTER
Systematic Name English
DI-3,5,5-TRIMETHYLHEXYL PHTHALATE
Common Name English
PHTHALIC ACID DI(3,5,5-TRIMETHYLHEXYL) ESTER
Systematic Name English
1-HEXANOL, 3,5,5-TRIMETHYL-, PHTHALATE (2:1)
Systematic Name English
J216.866I
Code English
Code System Code Type Description
EPA CompTox
DTXSID0057889
Created by admin on Sat Dec 16 01:55:13 GMT 2023 , Edited by admin on Sat Dec 16 01:55:13 GMT 2023
PRIMARY
FDA UNII
19ND350H65
Created by admin on Sat Dec 16 01:55:13 GMT 2023 , Edited by admin on Sat Dec 16 01:55:13 GMT 2023
PRIMARY
CAS
14103-61-8
Created by admin on Sat Dec 16 01:55:13 GMT 2023 , Edited by admin on Sat Dec 16 01:55:13 GMT 2023
PRIMARY
ECHA (EC/EINECS)
237-954-4
Created by admin on Sat Dec 16 01:55:13 GMT 2023 , Edited by admin on Sat Dec 16 01:55:13 GMT 2023
PRIMARY
PUBCHEM
34277
Created by admin on Sat Dec 16 01:55:13 GMT 2023 , Edited by admin on Sat Dec 16 01:55:13 GMT 2023
PRIMARY