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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

Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:18:45 GMT 2025
Edited
by admin
on Mon Mar 31 19:18:45 GMT 2025
Record UNII
2A3X4W9GZ0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 2202
Preferred Name English
ISOBUTYL HEXANOATE
FCC   FHFI  
Systematic Name English
ISOBUTYL HEXANOATE [FHFI]
Common Name 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 Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
Code System Code Type Description
CAS
105-79-3
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
JECFA MONOGRAPH
20
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
FDA UNII
2A3X4W9GZ0
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
CHEBI
87421
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-332-6
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
PUBCHEM
7775
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID0059322
Created by admin on Mon Mar 31 19:18:45 GMT 2025 , Edited by admin on Mon Mar 31 19:18:45 GMT 2025
PRIMARY