1,2-Dimethylpropyl acetate

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H14O2
Molecular Weight	130.1849
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,2-Dimethylpropyl acetate

Structure Search

SMILES

CC(C)C(C)OC(C)=O

InChI

InChIKey=ZLSXRPTWWRGMTJ-UHFFFAOYSA-N

InChI=1S/C7H14O2/c1-5(2)6(3)9-7(4)8/h5-6H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C7H14O2
Molecular Weight	130.1849
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:44:40 GMT 2025` Edited by `admin` on `Wed Apr 02 15:44:40 GMT 2025`
Record UNII	HSE9GN8DUE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-518

Preferred Name

English

1,2-Dimethylpropyl acetate

Systematic Name

English

2-Butanol, 3-methyl-, acetate

Systematic Name

English

2-Butanol, 3-methyl-, 2-acetate

Systematic Name

English

Methyl isopropyl acetate

Systematic Name

English

3-Methylbutan-2-yl acetate

Systematic Name

English

3-Methyl-2-butyl acetate

Systematic Name

English

Code System Code Type Description

FDA UNII

HSE9GN8DUE

Created by admin on Wed Apr 02 15:44:40 GMT 2025 , Edited by admin on Wed Apr 02 15:44:40 GMT 2025

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EPA CompTox

DTXSID00277038

Created by admin on Wed Apr 02 15:44:40 GMT 2025 , Edited by admin on Wed Apr 02 15:44:40 GMT 2025

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PUBCHEM

219337

Created by admin on Wed Apr 02 15:44:40 GMT 2025 , Edited by admin on Wed Apr 02 15:44:40 GMT 2025

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NSC

518

Created by admin on Wed Apr 02 15:44:40 GMT 2025 , Edited by admin on Wed Apr 02 15:44:40 GMT 2025

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CAS

5343-96-4

Created by admin on Wed Apr 02 15:44:40 GMT 2025 , Edited by admin on Wed Apr 02 15:44:40 GMT 2025

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