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Details

Stereochemistry ACHIRAL
Molecular Formula C12H24O2
Molecular Weight 200.3178
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOAMYL HEPTANOATE

SMILES

CCCCCCC(=O)OCCC(C)C

InChI

InChIKey=AFCXVDRTNQNGHS-UHFFFAOYSA-N
InChI=1S/C12H24O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h11H,4-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H24O2
Molecular Weight 200.3178
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 21:46:38 GMT 2025
Edited
by admin
on Mon Mar 31 21:46:38 GMT 2025
Record UNII
BK698490B6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOAMYL HEPTANOATE
Systematic Name English
HEPTANOIC ACID, 3-METHYLBUTYL ESTER
Preferred Name English
HEPTANOIC ACID, ISOPENTYL ESTER
Common Name English
ISOPENTYL HEPTANOATE
Systematic Name English
3-METHYLBUTYL HEPTANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
BK698490B6
Created by admin on Mon Mar 31 21:46:38 GMT 2025 , Edited by admin on Mon Mar 31 21:46:38 GMT 2025
PRIMARY
PUBCHEM
66955
Created by admin on Mon Mar 31 21:46:38 GMT 2025 , Edited by admin on Mon Mar 31 21:46:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID6059366
Created by admin on Mon Mar 31 21:46:38 GMT 2025 , Edited by admin on Mon Mar 31 21:46:38 GMT 2025
PRIMARY
CAS
109-25-1
Created by admin on Mon Mar 31 21:46:38 GMT 2025 , Edited by admin on Mon Mar 31 21:46:38 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-658-9
Created by admin on Mon Mar 31 21:46:38 GMT 2025 , Edited by admin on Mon Mar 31 21:46:38 GMT 2025
PRIMARY