SODIUM 2-ETHYLHEXANOATE

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Details

Stereochemistry	RACEMIC
Molecular Formula	C8H15O2.Na
Molecular Weight	166.1933
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 2-ETHYLHEXANOATE

Structure Search

SMILES

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

InChI

InChIKey=VYPDUQYOLCLEGS-UHFFFAOYSA-M

InChI=1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula	C8H15O2
Molecular Weight	143.2035
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:39:07 UTC 2023` Edited by `admin` on `Sat Dec 16 11:39:07 UTC 2023`
Record UNII	3I6Q454M3J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 2-ETHYLHEXANOATE

Systematic Name

English

HEXANOIC ACID, 2-ETHYL-, SODIUM SALT (1:1)

Systematic Name

English

2-ETHYLHEXANOIC ACID SODIUM SALT

Systematic Name

English

SODIUM 2-ETHYLCAPROATE

Systematic Name

English

HEXANOIC ACID, 2-ETHYL-, SODIUM SALT

Systematic Name

English

2-ETHYLCAPROIC ACID SODIUM SALT

Common Name

English

J225.270H

Code

English

Code System Code Type Description

CAS

19766-89-3

Created by admin on Sat Dec 16 11:39:08 UTC 2023 , Edited by admin on Sat Dec 16 11:39:08 UTC 2023

PRIMARY

ECHA (EC/EINECS)

243-283-8

Created by admin on Sat Dec 16 11:39:08 UTC 2023 , Edited by admin on Sat Dec 16 11:39:08 UTC 2023

PRIMARY

EPA CompTox

DTXSID0044866

Created by admin on Sat Dec 16 11:39:08 UTC 2023 , Edited by admin on Sat Dec 16 11:39:08 UTC 2023

PRIMARY

PUBCHEM

23672331

Created by admin on Sat Dec 16 11:39:08 UTC 2023 , Edited by admin on Sat Dec 16 11:39:08 UTC 2023

PRIMARY

FDA UNII

3I6Q454M3J

Created by admin on Sat Dec 16 11:39:08 UTC 2023 , Edited by admin on Sat Dec 16 11:39:08 UTC 2023

PRIMARY

Related Record Type Details


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SODIUM 2-ETHYLHEXANOATE, (R)-

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SODIUM 2-ETHYLHEXANOATE, (S)-

ENANTIOMER -> RACEMATE


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2-ETHYLHEXANOIC ACID

PARENT -> SALT/SOLVATE