CALCIUM 2-ETHYLBUTANOATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	2C6H11O2.Ca
Molecular Weight	270.379
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM 2-ETHYLBUTANOATE

Structure Search

SMILES

[Ca++].CCC(CC)C([O-])=O.CCC(CC)C([O-])=O

InChI

InChIKey=SXDNHUFAYSNOHZ-UHFFFAOYSA-L

InChI=1S/2C6H12O2.Ca/c2*1-3-5(4-2)6(7)8;/h2*5H,3-4H2,1-2H3,(H,7,8);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C6H11O2
Molecular Weight	115.1503
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 02:02:23 GMT 2023` Edited by `admin` on `Sat Dec 16 02:02:23 GMT 2023`
Record UNII	45Z9K2YL9V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM 2-ETHYLBUTANOATE

Systematic Name

English

CALCIUM 2-ETHYLBUTANOATE [MI]

Common Name

English

ETHANION

Common Name

English

BUTANOIC ACID, 2-ETHYL-, CALCIUM SALT (2:1)

Common Name

English

Code System Code Type Description

PUBCHEM

216242

Created by admin on Sat Dec 16 02:02:23 GMT 2023 , Edited by admin on Sat Dec 16 02:02:23 GMT 2023

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MERCK INDEX

m95

Created by admin on Sat Dec 16 02:02:23 GMT 2023 , Edited by admin on Sat Dec 16 02:02:23 GMT 2023

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Merck Index

EPA CompTox

DTXSID80159626

Created by admin on Sat Dec 16 02:02:23 GMT 2023 , Edited by admin on Sat Dec 16 02:02:23 GMT 2023

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ECHA (EC/EINECS)

205-266-3

Created by admin on Sat Dec 16 02:02:23 GMT 2023 , Edited by admin on Sat Dec 16 02:02:23 GMT 2023

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CAS

136-91-4

Created by admin on Sat Dec 16 02:02:23 GMT 2023 , Edited by admin on Sat Dec 16 02:02:23 GMT 2023

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FDA UNII

45Z9K2YL9V

Created by admin on Sat Dec 16 02:02:23 GMT 2023 , Edited by admin on Sat Dec 16 02:02:23 GMT 2023

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