ISOBUTYL 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 ISOBUTYL 3,3-DIMETHYLBUTYRATE

Structure Search

SMILES

CC(C)COC(=O)CC(C)(C)C

InChI

InChIKey=FMJJFNNEPDJCSG-UHFFFAOYSA-N

InChI=1S/C10H20O2/c1-8(2)7-12-9(11)6-10(3,4)5/h8H,6-7H2,1-5H3

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 `Tue Apr 01 19:13:20 GMT 2025` Edited by `admin` on `Tue Apr 01 19:13:20 GMT 2025`
Record UNII	CA2HG69QTJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOBUTYL 3,3-DIMETHYLBUTYRATE

Systematic Name

English

2-METHYLPROPYL 3,3-DIMETHYLBUTANOATE

Preferred Name

English

BUTANOIC ACID, 3,3-DIMETHYL-, 2-METHYLPROPYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

CA2HG69QTJ

Created by admin on Tue Apr 01 19:13:20 GMT 2025 , Edited by admin on Tue Apr 01 19:13:20 GMT 2025

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ECHA (EC/EINECS)

301-477-0

Created by admin on Tue Apr 01 19:13:20 GMT 2025 , Edited by admin on Tue Apr 01 19:13:20 GMT 2025

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PUBCHEM

3023286

Created by admin on Tue Apr 01 19:13:20 GMT 2025 , Edited by admin on Tue Apr 01 19:13:20 GMT 2025

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CAS

94021-85-9

Created by admin on Tue Apr 01 19:13:20 GMT 2025 , Edited by admin on Tue Apr 01 19:13:20 GMT 2025

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EPA CompTox

DTXSID20240249

Created by admin on Tue Apr 01 19:13:20 GMT 2025 , Edited by admin on Tue Apr 01 19:13:20 GMT 2025

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