Butyl 3,3-dimethylbutyrate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H20O2
Molecular Weight	172.2646
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Butyl 3,3-dimethylbutyrate

Structure Search

SMILES

CCCCOC(=O)CC(C)(C)C

InChI

InChIKey=GXSOWLLSDPRKOM-UHFFFAOYSA-N

InChI=1S/C10H20O2/c1-5-6-7-12-9(11)8-10(2,3)4/h5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C10H20O2
Molecular Weight	172.2646
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 `Sat Dec 16 12:33:57 GMT 2023` Edited by `admin` on `Sat Dec 16 12:33:57 GMT 2023`
Record UNII	3DMS868ENH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Butyl 3,3-dimethylbutyrate

Systematic Name

English

Butyl 3,3-dimethylbutanoate

Systematic Name

English

Butanoic acid, 3,3-dimethyl-, butyl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

286-321-9

Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023

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PUBCHEM

3020536

Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023

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CAS

85204-26-8

Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023

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EPA CompTox

DTXSID40234403

Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023

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FDA UNII

3DMS868ENH

Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023

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