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Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYL ISOBUTYRATE

SMILES

CCCCCCCOC(=O)C(C)C

InChI

InChIKey=RFDUMBPGZUIKOG-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
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 Fri Dec 15 18:43:20 GMT 2023
Edited
by admin
on Fri Dec 15 18:43:20 GMT 2023
Record UNII
FE997Z53QF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYL ISOBUTYRATE
FHFI  
Systematic Name English
HEPTYL ISOBUTYRATE [FHFI]
Common Name English
HEPTYL 2-METHYLPROPANOATE
Systematic Name English
FEMA NO. 2550
Code English
PROPANOIC ACID, 2-METHYL-, HEPTYL ESTER
Common Name English
ISOBUTYRIC ACID, HEPTYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION HEPTYL ISOBUTYRATE
Created by admin on Fri Dec 15 18:43:20 GMT 2023 , Edited by admin on Fri Dec 15 18:43:20 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:43:20 GMT 2023 , Edited by admin on Fri Dec 15 18:43:20 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID6062339
Created by admin on Fri Dec 15 18:43:20 GMT 2023 , Edited by admin on Fri Dec 15 18:43:20 GMT 2023
PRIMARY
CAS
2349-13-5
Created by admin on Fri Dec 15 18:43:20 GMT 2023 , Edited by admin on Fri Dec 15 18:43:20 GMT 2023
PRIMARY
JECFA MONOGRAPH
198
Created by admin on Fri Dec 15 18:43:20 GMT 2023 , Edited by admin on Fri Dec 15 18:43:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-076-3
Created by admin on Fri Dec 15 18:43:20 GMT 2023 , Edited by admin on Fri Dec 15 18:43:20 GMT 2023
PRIMARY
FDA UNII
FE997Z53QF
Created by admin on Fri Dec 15 18:43:20 GMT 2023 , Edited by admin on Fri Dec 15 18:43:20 GMT 2023
PRIMARY
PUBCHEM
61304
Created by admin on Fri Dec 15 18:43:20 GMT 2023 , Edited by admin on Fri Dec 15 18:43:20 GMT 2023
PRIMARY