METHYL HEXYL CYCLOPENTANONE CARBOXYLATE

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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

Structure Search

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

Molecular Formula	C13H22O3
Molecular Weight	226.312
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 `Wed Apr 02 17:55:56 GMT 2025` Edited by `admin` on `Wed Apr 02 17:55:56 GMT 2025`
Record UNII	2JE1P6GLJF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PFW DIHYDRO ISOJASMONATE

Preferred Name

English

METHYL HEXYL CYCLOPENTANONE CARBOXYLATE

Official Name

English

CYCLOPENTANECARBOXYLIC ACID, 2-HEXYL-3-OXO-, METHYL ESTER

Common Name

English

METHYL 2-HEXYL-3-OXOCYCLOPENTANECARBOXYLATE

Systematic Name

English

Code System Code Type Description

CAS

37172-53-5

Created by admin on Wed Apr 02 17:55:56 GMT 2025 , Edited by admin on Wed Apr 02 17:55:56 GMT 2025

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EPA CompTox

DTXSID5052048

Created by admin on Wed Apr 02 17:55:56 GMT 2025 , Edited by admin on Wed Apr 02 17:55:56 GMT 2025

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FDA UNII

2JE1P6GLJF

Created by admin on Wed Apr 02 17:55:56 GMT 2025 , Edited by admin on Wed Apr 02 17:55:56 GMT 2025

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ECHA (EC/EINECS)

253-379-1

Created by admin on Wed Apr 02 17:55:56 GMT 2025 , Edited by admin on Wed Apr 02 17:55:56 GMT 2025

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PUBCHEM

162249

Created by admin on Wed Apr 02 17:55:56 GMT 2025 , Edited by admin on Wed Apr 02 17:55:56 GMT 2025

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