Sodium nonyl phthalate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H23O4.Na
Molecular Weight	314.3519
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium nonyl phthalate

Structure Search

SMILES

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

InChI

InChIKey=JHDVLLBHVWBRDZ-UHFFFAOYSA-M

InChI=1S/C17H24O4.Na/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);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C17H23O4
Molecular Weight	291.3621
Charge	-1
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 18:36:14 GMT 2025` Edited by `admin` on `Tue Apr 01 18:36:14 GMT 2025`
Record UNII	KZ8CM7X6UT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2-Benzenedicarboxylic acid, 1-nonyl ester, sodium salt

Preferred Name

English

Sodium nonyl phthalate

Systematic Name

English

Code System Code Type Description

PUBCHEM

23662609

Created by admin on Tue Apr 01 18:36:14 GMT 2025 , Edited by admin on Tue Apr 01 18:36:14 GMT 2025

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EPA CompTox

DTXSID30240558

Created by admin on Tue Apr 01 18:36:14 GMT 2025 , Edited by admin on Tue Apr 01 18:36:14 GMT 2025

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FDA UNII

KZ8CM7X6UT

Created by admin on Tue Apr 01 18:36:14 GMT 2025 , Edited by admin on Tue Apr 01 18:36:14 GMT 2025

PRIMARY

ECHA (EC/EINECS)

302-337-1

Created by admin on Tue Apr 01 18:36:14 GMT 2025 , Edited by admin on Tue Apr 01 18:36:14 GMT 2025

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CAS

94108-00-6

Created by admin on Tue Apr 01 18:36:14 GMT 2025 , Edited by admin on Tue Apr 01 18:36:14 GMT 2025

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