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

SMILES

CCCCCC(=O)OCC(C)C

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOBUTYL HEXANOATE
FCC   FHFI  
Systematic Name English
ISOBUTYL HEXANOATE [FHFI]
Common Name English
FEMA NO. 2202
Code English
2-METHYLPROPYL HEXANOATE
Systematic Name English
ISOBUTYL HEXANOATE [FCC]
Common Name English
ISOBUTYL CAPROATE
Systematic Name English
HEXANOIC ACID, 2-METHYLPROPYL ESTER
Common Name English
HEXANOIC ACID, ISOBUTYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ISOBUTYL HEXANOATE
Created by admin on Fri Dec 15 18:41:08 GMT 2023 , Edited by admin on Fri Dec 15 18:41:08 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:41:08 GMT 2023 , Edited by admin on Fri Dec 15 18:41:08 GMT 2023
Code System Code Type Description
CAS
105-79-3
Created by admin on Fri Dec 15 18:41:08 GMT 2023 , Edited by admin on Fri Dec 15 18:41:08 GMT 2023
PRIMARY
JECFA MONOGRAPH
20
Created by admin on Fri Dec 15 18:41:08 GMT 2023 , Edited by admin on Fri Dec 15 18:41:08 GMT 2023
PRIMARY
FDA UNII
2A3X4W9GZ0
Created by admin on Fri Dec 15 18:41:08 GMT 2023 , Edited by admin on Fri Dec 15 18:41:08 GMT 2023
PRIMARY
CHEBI
87421
Created by admin on Fri Dec 15 18:41:08 GMT 2023 , Edited by admin on Fri Dec 15 18:41:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-332-6
Created by admin on Fri Dec 15 18:41:08 GMT 2023 , Edited by admin on Fri Dec 15 18:41:08 GMT 2023
PRIMARY
PUBCHEM
7775
Created by admin on Fri Dec 15 18:41:08 GMT 2023 , Edited by admin on Fri Dec 15 18:41:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID0059322
Created by admin on Fri Dec 15 18:41:08 GMT 2023 , Edited by admin on Fri Dec 15 18:41:08 GMT 2023
PRIMARY