Sodium isobutyl phthalate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H13O4.Na
Molecular Weight	244.219
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium isobutyl phthalate

Structure Search

SMILES

[Na+].CC(C)COC(=O)C1=C(C=CC=C1)C([O-])=O

InChI

InChIKey=REWQYEQHPFDJHO-UHFFFAOYSA-M

InChI=1S/C12H14O4.Na/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14;/h3-6,8H,7H2,1-2H3,(H,13,14);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Sodium isobutyl phthalate

Systematic Name

English

1,2-Benzenedicarboxylic acid, mono(2-methylpropyl) ester, sodium salt

Preferred Name

English

Code System Code Type Description

FDA UNII

FZE35P8CV4

Created by admin on Tue Apr 01 17:39:17 GMT 2025 , Edited by admin on Tue Apr 01 17:39:17 GMT 2025

PRIMARY

PUBCHEM

23662570

Created by admin on Tue Apr 01 17:39:17 GMT 2025 , Edited by admin on Tue Apr 01 17:39:17 GMT 2025

PRIMARY

CAS

93762-14-2

Created by admin on Tue Apr 01 17:39:17 GMT 2025 , Edited by admin on Tue Apr 01 17:39:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID80239573

Created by admin on Tue Apr 01 17:39:17 GMT 2025 , Edited by admin on Tue Apr 01 17:39:17 GMT 2025

PRIMARY

ECHA (EC/EINECS)

297-728-6

Created by admin on Tue Apr 01 17:39:17 GMT 2025 , Edited by admin on Tue Apr 01 17:39:17 GMT 2025

PRIMARY

SUBSTANCE RECORD


					FZE35P8CV4

Sodium isobutyl phthalate