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Details

Stereochemistry MIXED
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PENTYL 2-METHYLPENTANOATE

SMILES

CCCC(C)OC(=O)C(C)CCC

InChI

InChIKey=CFWDCGXDJBSHMZ-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-5-7-9(3)11(12)13-10(4)8-6-2/h9-10H,5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:56:36 GMT 2025
Edited
by admin
on Mon Mar 31 20:56:36 GMT 2025
Record UNII
F9V9W3014W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 4401
Preferred Name English
2-PENTYL 2-METHYLPENTANOATE
FHFI  
Systematic Name English
(±)-2-PENTYL 2-METHYLPENTANOATE
Systematic Name English
2-PENTYL 2-METHYLPENTANOATE [FHFI]
Common Name English
PENTANOIC ACID, 2-METHYL-, 1-METHYLBUTYL ESTER
Common Name English
2-PENTYL 2-METHYLPENTANOATE, (±)-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 2-PENTYL 2-METHYLPENTANOATE
Created by admin on Mon Mar 31 20:56:36 GMT 2025 , Edited by admin on Mon Mar 31 20:56:36 GMT 2025
Code System Code Type Description
CAS
90397-36-7
Created by admin on Mon Mar 31 20:56:36 GMT 2025 , Edited by admin on Mon Mar 31 20:56:36 GMT 2025
PRIMARY
JECFA MONOGRAPH
2048
Created by admin on Mon Mar 31 20:56:36 GMT 2025 , Edited by admin on Mon Mar 31 20:56:36 GMT 2025
PRIMARY
FDA UNII
F9V9W3014W
Created by admin on Mon Mar 31 20:56:36 GMT 2025 , Edited by admin on Mon Mar 31 20:56:36 GMT 2025
PRIMARY
PUBCHEM
57090934
Created by admin on Mon Mar 31 20:56:36 GMT 2025 , Edited by admin on Mon Mar 31 20:56:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID30920404
Created by admin on Mon Mar 31 20:56:36 GMT 2025 , Edited by admin on Mon Mar 31 20:56:36 GMT 2025
PRIMARY