ISOMETHYL-.BETA.-IONONE, (E)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H22O
Molecular Weight	206.3239
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ISOMETHYL-.BETA.-IONONE, (E)-

Structure Search

SMILES

CC(=O)C(\C)=C\C1=C(C)CCCC1(C)C

InChI

InChIKey=NSSHGPBKKVJJMM-PKNBQFBNSA-N

InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+

HIDE SMILES / InChI

Molecular Formula	C14H22O
Molecular Weight	206.3239
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:59:35 GMT 2025` Edited by `admin` on `Mon Mar 31 20:59:35 GMT 2025`
Record UNII	VAV72I3BFK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOMETHYL-.BETA.-IONONE, (E)-

Common Name

English

FEMA NO. 4151, E-

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

(E)-8-METHYL-.BETA.-IONONE

Common Name

English

Code System Code Type Description

FDA UNII

VAV72I3BFK

Created by admin on Mon Mar 31 20:59:35 GMT 2025 , Edited by admin on Mon Mar 31 20:59:35 GMT 2025

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CAS

51703-99-2

Created by admin on Mon Mar 31 20:59:35 GMT 2025 , Edited by admin on Mon Mar 31 20:59:35 GMT 2025

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PUBCHEM

5372195

Created by admin on Mon Mar 31 20:59:35 GMT 2025 , Edited by admin on Mon Mar 31 20:59:35 GMT 2025

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EPA CompTox

DTXSID701314815

Created by admin on Mon Mar 31 20:59:35 GMT 2025 , Edited by admin on Mon Mar 31 20:59:35 GMT 2025

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