ETHYL 5-OXOHEXANOATE

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NCATS

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 of ETHYL 5-OXOHEXANOATE

Structure Search

SMILES

CCOC(=O)CCCC(C)=O

InChI

InChIKey=MGPSIDGTLFKDEY-UHFFFAOYSA-N

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

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:06:03 GMT 2025` Edited by `admin` on `Tue Apr 01 19:06:03 GMT 2025`
Record UNII	DJ9EME6QBQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL 5-OXOHEXANOATE

Systematic Name

English

5-OXOHEXANOIC ACID ETHYL ESTER

Preferred Name

English

ETHYL 4-ACETYLBUTYRATE

Systematic Name

English

HEXANOIC ACID, 5-OXO-, ETHYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

84130

Created by admin on Tue Apr 01 19:06:03 GMT 2025 , Edited by admin on Tue Apr 01 19:06:03 GMT 2025

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ECHA (EC/EINECS)

237-776-7

Created by admin on Tue Apr 01 19:06:03 GMT 2025 , Edited by admin on Tue Apr 01 19:06:03 GMT 2025

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CAS

13984-57-1

Created by admin on Tue Apr 01 19:06:03 GMT 2025 , Edited by admin on Tue Apr 01 19:06:03 GMT 2025

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EPA CompTox

DTXSID6065688

Created by admin on Tue Apr 01 19:06:03 GMT 2025 , Edited by admin on Tue Apr 01 19:06:03 GMT 2025

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FDA UNII

DJ9EME6QBQ

Created by admin on Tue Apr 01 19:06:03 GMT 2025 , Edited by admin on Tue Apr 01 19:06:03 GMT 2025

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