Sodium 2-butylhexanoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H19O2.Na
Molecular Weight	194.2464
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCCCC(CCCC)C([O-])=O

InChI

InChIKey=IHHWMDSKQZTVIY-UHFFFAOYSA-M

InChI=1S/C10H20O2.Na/c1-3-5-7-9(10(11)12)8-6-4-2;/h9H,3-8H2,1-2H3,(H,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C10H19O2
Molecular Weight	171.2567
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
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 `Sat Dec 16 09:08:11 GMT 2023` Edited by `admin` on `Sat Dec 16 09:08:11 GMT 2023`
Record UNII	M9MFD6QEN6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Sodium 2-butylhexanoate

Common Name

English

Sodium di-n-butylacetate

Common Name

English

Hexanoic acid, 2-butyl-, sodium salt

Common Name

English

2-Butylcaproic acid sodium salt

Common Name

English

Hexanoic acid, 2-butyl-, sodium salt (1:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80168819

Created by admin on Sat Dec 16 09:08:11 GMT 2023 , Edited by admin on Sat Dec 16 09:08:11 GMT 2023

PRIMARY

CAS

17022-35-4

Created by admin on Sat Dec 16 09:08:11 GMT 2023 , Edited by admin on Sat Dec 16 09:08:11 GMT 2023

PRIMARY

PUBCHEM

23662340

Created by admin on Sat Dec 16 09:08:11 GMT 2023 , Edited by admin on Sat Dec 16 09:08:11 GMT 2023

PRIMARY

FDA UNII

M9MFD6QEN6

Created by admin on Sat Dec 16 09:08:11 GMT 2023 , Edited by admin on Sat Dec 16 09:08:11 GMT 2023

PRIMARY

Related Record Type Details


					7P7E7U5ZG2

2-Butylhexanoic acid

PARENT -> SALT/SOLVATE

Amount: