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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BUTYL BUTYRATE, (-)-

SMILES

CCCC(=O)O[C@H](C)CC

InChI

InChIKey=QJHDFBAAFGELLO-SSDOTTSWSA-N
InChI=1S/C8H16O2/c1-4-6-8(9)10-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:38:10 GMT 2023
Edited
by admin
on Sat Dec 16 08:38:10 GMT 2023
Record UNII
NQ167S149X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTYL BUTYRATE, (-)-
Systematic Name English
BUTANOIC ACID, 1-METHYLPROPYL ESTER, (R)-
Systematic Name English
(-)-2-BUTYL BUTYRATE
Systematic Name English
BUTANOIC ACID, (1R)-1-METHYLPROPYL ESTER
Systematic Name English
SEC-BUTYL BUTYRATE, (-)-
Systematic Name English
Code System Code Type Description
CAS
89378-59-6
Created by admin on Sat Dec 16 08:38:10 GMT 2023 , Edited by admin on Sat Dec 16 08:38:10 GMT 2023
PRIMARY
PUBCHEM
12253192
Created by admin on Sat Dec 16 08:38:10 GMT 2023 , Edited by admin on Sat Dec 16 08:38:10 GMT 2023
PRIMARY
FDA UNII
NQ167S149X
Created by admin on Sat Dec 16 08:38:10 GMT 2023 , Edited by admin on Sat Dec 16 08:38:10 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER