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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H24O4
Molecular Weight 292.3701
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nonyl hydrogen phthalate

SMILES

CCCCCCCCCOC(=O)C1=C(C=CC=C1)C(O)=O

InChI

InChIKey=LNKHFECVVLVFFE-UHFFFAOYSA-N
InChI=1S/C17H24O4/c1-2-3-4-5-6-7-10-13-21-17(20)15-12-9-8-11-14(15)16(18)19/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C17H24O4
Molecular Weight 292.3701
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:46:06 GMT 2025
Edited
by admin
on Tue Apr 01 18:46:06 GMT 2025
Record UNII
4N5VD22JE5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-Benzenedicarboxylic acid, 1-nonyl ester
Preferred Name English
Nonyl hydrogen phthalate
Systematic Name English
Code System Code Type Description
PUBCHEM
90533
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY
FDA UNII
4N5VD22JE5
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID20179282
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY
ECHA (EC/EINECS)
246-303-3
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY
CAS
24539-59-1
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT