U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C13H22O3
Molecular Weight 226.312
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL HEXYL CYCLOPENTANONE CARBOXYLATE

SMILES

CCCCCCC1C(CCC1=O)C(=O)OC

InChI

InChIKey=IPWBXORAIBJDDQ-UHFFFAOYSA-N
InChI=1S/C13H22O3/c1-3-4-5-6-7-10-11(13(15)16-2)8-9-12(10)14/h10-11H,3-9H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL HEXYL CYCLOPENTANONE CARBOXYLATE
INCI  
INCI  
Official Name English
PFW DIHYDRO ISOJASMONATE
Brand Name English
CYCLOPENTANECARBOXYLIC ACID, 2-HEXYL-3-OXO-, METHYL ESTER
Common Name English
METHYL 2-HEXYL-3-OXOCYCLOPENTANECARBOXYLATE
Systematic Name English
METHYL HEXYL CYCLOPENTANONE CARBOXYLATE [INCI]
Common Name English
Code System Code Type Description
CAS
37172-53-5
Created by admin on Sat Dec 16 19:58:30 GMT 2023 , Edited by admin on Sat Dec 16 19:58:30 GMT 2023
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EPA CompTox
DTXSID5052048
Created by admin on Sat Dec 16 19:58:30 GMT 2023 , Edited by admin on Sat Dec 16 19:58:30 GMT 2023
PRIMARY
FDA UNII
2JE1P6GLJF
Created by admin on Sat Dec 16 19:58:30 GMT 2023 , Edited by admin on Sat Dec 16 19:58:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-379-1
Created by admin on Sat Dec 16 19:58:30 GMT 2023 , Edited by admin on Sat Dec 16 19:58:30 GMT 2023
PRIMARY
PUBCHEM
162249
Created by admin on Sat Dec 16 19:58:30 GMT 2023 , Edited by admin on Sat Dec 16 19:58:30 GMT 2023
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