Butane-1,4-diyl diacetoacetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18O6
Molecular Weight	258.2677
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Butane-1,4-diyl diacetoacetate

Structure Search

SMILES

CC(=O)CC(=O)OCCCCOC(=O)CC(C)=O

InChI

InChIKey=IHSFHIUGYHMYNR-UHFFFAOYSA-N

InChI=1S/C12H18O6/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H18O6
Molecular Weight	258.2677
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 17:40:48 GMT 2025` Edited by `admin` on `Tue Apr 01 17:40:48 GMT 2025`
Record UNII	77V2P4WCQ2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1?-(1,4-Butanediyl) bis(3-oxobutanoate)

Preferred Name

English

Butane-1,4-diyl diacetoacetate

Systematic Name

English

1,4-Butanediol bis(acetoacetate)

Systematic Name

English

Butanoic acid, 3-oxo-, 1,1?-(1,4-butanediyl) ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

83049

Created by admin on Tue Apr 01 17:40:48 GMT 2025 , Edited by admin on Tue Apr 01 17:40:48 GMT 2025

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FDA UNII

77V2P4WCQ2

Created by admin on Tue Apr 01 17:40:48 GMT 2025 , Edited by admin on Tue Apr 01 17:40:48 GMT 2025

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EPA CompTox

DTXSID70156381

Created by admin on Tue Apr 01 17:40:48 GMT 2025 , Edited by admin on Tue Apr 01 17:40:48 GMT 2025

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ECHA (EC/EINECS)

235-873-9

Created by admin on Tue Apr 01 17:40:48 GMT 2025 , Edited by admin on Tue Apr 01 17:40:48 GMT 2025

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CAS

13018-41-2

Created by admin on Tue Apr 01 17:40:48 GMT 2025 , Edited by admin on Tue Apr 01 17:40:48 GMT 2025

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