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Details

Stereochemistry ACHIRAL
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL HEXANOATE

SMILES

CCCCCC(=O)OC(C)C

InChI

InChIKey=JSHDAORXSNJOBA-UHFFFAOYSA-N
InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H18O2
Molecular Weight 158.238
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 19:32:31 GMT 2025
Edited
by admin
on Mon Mar 31 19:32:31 GMT 2025
Record UNII
84AO2UI60U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPROPYL HEXANOATE
FHFI  
Systematic Name English
FEMA NO. 2950
Preferred Name English
HEXANOIC ACID, 1-METHYLETHYL ESTER
Common Name English
ISOPROPYL HEXANOATE [FHFI]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 19:32:31 GMT 2025 , Edited by admin on Mon Mar 31 19:32:31 GMT 2025
JECFA EVALUATION ISOPROPYL HEXANOATE
Created by admin on Mon Mar 31 19:32:31 GMT 2025 , Edited by admin on Mon Mar 31 19:32:31 GMT 2025
Code System Code Type Description
PUBCHEM
16832
Created by admin on Mon Mar 31 19:32:31 GMT 2025 , Edited by admin on Mon Mar 31 19:32:31 GMT 2025
PRIMARY
JECFA MONOGRAPH
653
Created by admin on Mon Mar 31 19:32:31 GMT 2025 , Edited by admin on Mon Mar 31 19:32:31 GMT 2025
PRIMARY
FDA UNII
84AO2UI60U
Created by admin on Mon Mar 31 19:32:31 GMT 2025 , Edited by admin on Mon Mar 31 19:32:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID90177674
Created by admin on Mon Mar 31 19:32:31 GMT 2025 , Edited by admin on Mon Mar 31 19:32:31 GMT 2025
PRIMARY
ECHA (EC/EINECS)
219-000-9
Created by admin on Mon Mar 31 19:32:31 GMT 2025 , Edited by admin on Mon Mar 31 19:32:31 GMT 2025
PRIMARY
CAS
2311-46-8
Created by admin on Mon Mar 31 19:32:31 GMT 2025 , Edited by admin on Mon Mar 31 19:32:31 GMT 2025
PRIMARY