.BETA.-IRONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H22O
Molecular Weight	206.3239
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1CCC(C)=C(\C=C\C(C)=O)C1(C)C

InChI

InChIKey=BGKCUGPVLVNPSG-CMDGGOBGSA-N

InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3/b9-8+

HIDE SMILES / InChI

Molecular Formula	C14H22O
Molecular Weight	206.3239
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:59:06 GMT 2025` Edited by `admin` on `Mon Mar 31 21:59:06 GMT 2025`
Record UNII	W8NW93JQ9H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-IRONE

Common Name

English

(±)-.BETA.-IRONE

Preferred Name

English

.BETA.-IONONE, 6-METHYL-

Common Name

English

3-BUTEN-2-ONE, 4-(2,5,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)-, (3E)-

Systematic Name

English

.BETA.-IRONE, (±)-

Common Name

English

6-METHYL-.BETA.-IONONE

Common Name

English

4-(2,5,6,6-TETRAMETHYL-1-CYCLOHEXENYL)BUT-3-EN-2-ONE

Systematic Name

English

4-(2,5,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE

Systematic Name

English

.BETA.-IRONE [MI]

Common Name

English

3-BUTEN-2-ONE, 4-(2,5,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

201-220-1