IRITONE

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NCATS

Details

Stereochemistry	UNKNOWN
Molecular Formula	C13H20O
Molecular Weight	192.2973
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of IRITONE

Structure Search

SMILES

CC1CC(C)=CC(C)C1\C=C\C(C)=O

InChI

InChIKey=FETSKTIMHFKZNF-AATRIKPKSA-N

InChI=1S/C13H20O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h5-7,10-11,13H,8H2,1-4H3/b6-5+

HIDE SMILES / InChI

Molecular Formula	C13H20O
Molecular Weight	192.2973
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:01:30 GMT 2025` Edited by `admin` on `Tue Apr 01 17:01:30 GMT 2025`
Record UNII	67GL43KSFC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(3E)-4-(2,4,6-TRIMETHYLCYCLOHEX-3-EN-1-YL)BUT-3-EN-2-ONE

Preferred Name

English

IRITONE

Common Name

English

3-BUTEN-2-ONE, 4-(2,4,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-

Systematic Name

English

4-(2,4,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE

Systematic Name

English

Code System Code Type Description

CAS

67801-38-1

Created by admin on Tue Apr 01 17:01:30 GMT 2025 , Edited by admin on Tue Apr 01 17:01:30 GMT 2025

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FDA UNII

67GL43KSFC

Created by admin on Tue Apr 01 17:01:30 GMT 2025 , Edited by admin on Tue Apr 01 17:01:30 GMT 2025

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PUBCHEM

6285057

Created by admin on Tue Apr 01 17:01:30 GMT 2025 , Edited by admin on Tue Apr 01 17:01:30 GMT 2025

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ECHA (EC/EINECS)

267-158-2

Created by admin on Tue Apr 01 17:01:30 GMT 2025 , Edited by admin on Tue Apr 01 17:01:30 GMT 2025

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EPA CompTox

DTXSID1052371

Created by admin on Tue Apr 01 17:01:30 GMT 2025 , Edited by admin on Tue Apr 01 17:01:30 GMT 2025

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