SODIUM MONOMETHYL ADIPATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H11O4.Na
Molecular Weight	182.1496
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].COC(=O)CCCCC([O-])=O

InChI

InChIKey=XWMAGYLNUHTFKC-UHFFFAOYSA-M

InChI=1S/C7H12O4.Na/c1-11-7(10)5-3-2-4-6(8)9;/h2-5H2,1H3,(H,8,9);/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	C7H11O4
Molecular Weight	159.1598
Charge	-1
Count

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

Approval Year

PubMed

Title	Date	PubMed
Oxidation of cyclohexanediol derivatives with 12-tungstophosphoric acid-hydrogen peroxide system.	2009	19430194

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:10:07 GMT 2025` Edited by `admin` on `Mon Mar 31 21:10:07 GMT 2025`
Record UNII	IN3YY3XYIK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM MONOMETHYL ADIPATE

Systematic Name

English

HEXANEDIOIC ACID, 1-METHYL ESTER, SODIUM SALT (1:1)

Preferred Name

English

MONOMETHYL ADIPATE SODIUM SALT

Systematic Name

English

HEXANEDIOIC ACID, MONOMETHYL ESTER, SODIUM SALT

Systematic Name

English

ADIPIC ACID, MONOMETHYL ESTER, SODIUM SALT

Systematic Name

English

ADIPIC ACID, METHYL ESTER, SODIUM SALT

Systematic Name

English

Code System Code Type Description

PUBCHEM

23695427

Created by admin on Mon Mar 31 21:10:07 GMT 2025 , Edited by admin on Mon Mar 31 21:10:07 GMT 2025

PRIMARY

CAS

5877-45-2

Created by admin on Mon Mar 31 21:10:07 GMT 2025 , Edited by admin on Mon Mar 31 21:10:07 GMT 2025

PRIMARY

FDA UNII

IN3YY3XYIK

Created by admin on Mon Mar 31 21:10:07 GMT 2025 , Edited by admin on Mon Mar 31 21:10:07 GMT 2025

PRIMARY

CAS

627-91-8

Created by admin on Mon Mar 31 21:10:07 GMT 2025 , Edited by admin on Mon Mar 31 21:10:07 GMT 2025

MAJOR COMPONENT STRUCTURE/SEQUENCE