U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow 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

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

Approval Year

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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY