.ALPHA.-IONONE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H20O
Molecular Weight	192.2973
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-IONONE

Structure Search

SMILES

CC(=O)\C=C\C1C(C)=CCCC1(C)C

InChI

InChIKey=UZFLPKAIBPNNCA-BQYQJAHWSA-N

InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+

HIDE SMILES / InChI

Molecular Formula	C13H20O
Molecular Weight	192.2973
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 `Fri Dec 15 19:09:25 UTC 2023` Edited by `admin` on `Fri Dec 15 19:09:25 UTC 2023`
Record UNII	I9V075M61R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.ALPHA.-IONONE

Common Name

English

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

Systematic Name

English

.ALPHA.-IONONE [FHFI]

Common Name

English

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

Systematic Name

English

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

Common Name

English

(5E)-IONONE

Common Name

English

.ALPHA.-CYCLOCITRYLIDENEACETONE

Common Name

English

FEMA NO. 2594

Code

English

ALPHA-IONONE

Official Name

English

IONONE, ALPHA-

Common Name

English

.ALPHA.-IONONE [MI]

Common Name

English

(E)-.ALPHA.-IONONE

Common Name

English

(±)-.ALPHA.-IONONE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

ALPHA-IONONE [FCC]

Common Name

English

(±)-TRANS-.ALPHA.-IONONE

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

ALPHA-IONONE

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

JECFA EVALUATION

ALPHA-IONONE

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

EPA PESTICIDE CODE

129030

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

Code System Code Type Description

DAILYMED

I9V075M61R

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

PRIMARY

ECHA (EC/EINECS)

204-841-6

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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MESH

C011879

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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CHEBI

32319

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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EVMPD

SUB71277

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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CAS

127-41-3

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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EPA CompTox

DTXSID0035160

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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SMS_ID

100000135630

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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MERCK INDEX

m6369

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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Merck Index

PUBCHEM

5282108

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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FDA UNII

I9V075M61R

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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HSDB

8268

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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WIKIPEDIA

IONONE

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

PRIMARY

The ionones are a series of closely related chemical substances that are part of a group of compounds known as rose ketones, which also includes damascones and damascenones.

JECFA MONOGRAPH

667

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

PRIMARY

RXCUI

1859172

Created by admin on Fri Dec 15 19:09:25 UTC 2023 , Edited by admin on Fri Dec 15 19:09:25 UTC 2023

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Related Record Type Details


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PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

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