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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14O2
Molecular Weight 130.1849
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYL ISOBUTYRATE

SMILES

CCCOC(=O)C(C)C

InChI

InChIKey=AZFUASHXSOTBNU-UHFFFAOYSA-N
InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H14O2
Molecular Weight 130.1849
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:47:47 GMT 2023
Edited
by admin
on Fri Dec 15 18:47:47 GMT 2023
Record UNII
Q0080Q3HHP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPYL ISOBUTYRATE
FHFI  
Systematic Name English
PROPYL 2-METHYLPROPANOATE
Systematic Name English
FEMA NO. 2936
Code English
PROPYL ISOBUTYRATE [FHFI]
Common Name English
N-PROPYL ISOBUTYRATE
Common Name English
NSC-406702
Code English
ISOBUTYRIC ACID, PROPYL ESTER
Common Name English
PROPANOIC ACID, 2-METHYL-, PROPYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION PROPYL ISOBUTYRATE
Created by admin on Fri Dec 15 18:47:47 GMT 2023 , Edited by admin on Fri Dec 15 18:47:47 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:47:47 GMT 2023 , Edited by admin on Fri Dec 15 18:47:47 GMT 2023
Code System Code Type Description
NSC
406702
Created by admin on Fri Dec 15 18:47:47 GMT 2023 , Edited by admin on Fri Dec 15 18:47:47 GMT 2023
PRIMARY
PUBCHEM
12571
Created by admin on Fri Dec 15 18:47:47 GMT 2023 , Edited by admin on Fri Dec 15 18:47:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-417-4
Created by admin on Fri Dec 15 18:47:47 GMT 2023 , Edited by admin on Fri Dec 15 18:47:47 GMT 2023
PRIMARY
FDA UNII
Q0080Q3HHP
Created by admin on Fri Dec 15 18:47:47 GMT 2023 , Edited by admin on Fri Dec 15 18:47:47 GMT 2023
PRIMARY
CAS
644-49-5
Created by admin on Fri Dec 15 18:47:47 GMT 2023 , Edited by admin on Fri Dec 15 18:47:47 GMT 2023
PRIMARY
JECFA MONOGRAPH
215
Created by admin on Fri Dec 15 18:47:47 GMT 2023 , Edited by admin on Fri Dec 15 18:47:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID30214653
Created by admin on Fri Dec 15 18:47:47 GMT 2023 , Edited by admin on Fri Dec 15 18:47:47 GMT 2023
PRIMARY