ETHYL 3-OXOHEXANOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H14O3
Molecular Weight	158.195
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)CC(=O)OCC

InChI

InChIKey=KQWWVLVLVYYYDT-UHFFFAOYSA-N

InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C8H14O3
Molecular Weight	158.195
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Improved synthesis and pharmacological evaluation of racemic 11 -demethylcalanolide A.	2008 Jul	18819474
Free radical reaction between 2-benzoyl-1,4-benzoquinones and 1,3-dicarbonyl compounds.	2009 Oct 7	19763314

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:50:11 GMT 2023` Edited by `admin` on `Fri Dec 15 19:50:11 GMT 2023`
Record UNII	8Q1AHG710E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL 3-OXOHEXANOATE

Systematic Name

English

FEMA NO. 3683

Code

English

ETHYL 3-KETOHEXANOATE

Systematic Name

English

ETHYL BUTYROYLACETATE

Systematic Name

English

ETHYL .ALPHA.-BUTYRYLACETATE

Systematic Name

English

3-OXOHEXANOIC ACID ETHYL ESTER

Systematic Name

English

ETHYL 3-PROPYL-3-OXOPROPANOATE

Systematic Name

English

HEXANOIC ACID, 3-OXO-, ETHYL ESTER

Common Name

English

ETHYL BUTYRYLACETATE

Systematic Name

English

NSC-42868

Code

English

ETHYL BUTYROACETATE

Common Name

English

CAPROIC ACID, .BETA.-OXO-, ETHYL ESTER

Common Name

English

BUTYRYLACETIC ACID ETHYL ESTER

Systematic Name

English

ETHYL 3-OXOHEXANOATE [FHFI]

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

ETHYL 3-OXOHEXANOATE