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Details

Stereochemistry RACEMIC
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentyl 2-methylbutanoate

SMILES

CCCCCOC(=O)C(C)CC

InChI

InChIKey=RHNBXPIJLXBHMF-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
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 21:13:53 GMT 2025
Edited
by admin
on Wed Apr 02 21:13:53 GMT 2025
Record UNII
2WV2T5M4J2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pentyl 2-methylbutanoate
Systematic Name English
Butanoic acid, 2-methyl-, pentyl ester
Preferred Name English
Pentyl 2-methylbutyrate
Systematic Name English
Code System Code Type Description
CAS
68039-26-9
Created by admin on Wed Apr 02 21:13:53 GMT 2025 , Edited by admin on Wed Apr 02 21:13:53 GMT 2025
PRIMARY
ECHA (EC/EINECS)
268-244-2
Created by admin on Wed Apr 02 21:13:53 GMT 2025 , Edited by admin on Wed Apr 02 21:13:53 GMT 2025
PRIMARY
FDA UNII
2WV2T5M4J2
Created by admin on Wed Apr 02 21:13:53 GMT 2025 , Edited by admin on Wed Apr 02 21:13:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID50867443
Created by admin on Wed Apr 02 21:13:53 GMT 2025 , Edited by admin on Wed Apr 02 21:13:53 GMT 2025
PRIMARY
PUBCHEM
107059
Created by admin on Wed Apr 02 21:13:53 GMT 2025 , Edited by admin on Wed Apr 02 21:13:53 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE