.BETA.-DAMASCENONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O
Molecular Weight	190.2814
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-DAMASCENONE

Structure Search

SMILES

C\C=C\C(=O)C1=C(C)C=CCC1(C)C

InChI

InChIKey=POIARNZEYGURDG-FNORWQNLSA-N

InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+

HIDE SMILES / InChI

Molecular Formula	C13H18O
Molecular Weight	190.2814
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 19:01:43 GMT 2025` Edited by `admin` on `Mon Mar 31 19:01:43 GMT 2025`
Record UNII	U66V25TBO0
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FEMA NO. 3420

Preferred Name

English

.BETA.-DAMASCENONE

Common Name

English

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

Systematic Name

English

4-(2,6,6-TRIMETHYL CYCLOHEXA-1,3-DIENYL) BUT-2-EN-4-ONE [FHFI]

Common Name

English

(E)-1-(2,6,6-TRIMETHYL-1-CYCLOHEXA-1,3-DIENYL)BUT-2-EN-1-ONE

Systematic Name

English

TRANS-.BETA.-DAMASCENON

Common Name

English

DAMASCENONE,.BETA.-

Common Name

English

.BETA.-DAMASCENONE [MI]

Common Name

English

.BETA.-DAMASCENON, TRANS-

Common Name

English

(E)-.BETA.-DAMASCENONE

Common Name

English

4-(2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL)BUT-2-EN-4-ONE

Systematic Name

English

BETA-DAMASCENONE

Common Name

English

DAMASCENONE

Common Name

English

TRANS-DAMASCENONE

Common Name

English

Code System Code Type Description

EVMPD

SUB115709

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

PRIMARY

MERCK INDEX

m4078

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

PRIMARY

Merck Index

WIKIPEDIA

DAMASCENONE

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

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EPA CompTox

DTXSID90885242

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

PRIMARY

PUBCHEM

5366074

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

PRIMARY

CAS

23696-85-7

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

CAS

23726-93-4

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

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CHEBI

67251

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

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JECFA MONOGRAPH

341

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

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FDA UNII

U66V25TBO0

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

PRIMARY

SMS_ID

100000142136

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

PRIMARY

ECHA (EC/EINECS)

245-844-2

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

PRIMARY

DAILYMED

U66V25TBO0

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

PRIMARY

MESH

C075388

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

PRIMARY

ECHA (EC/EINECS)

245-833-2

Created by admin on Mon Mar 31 19:01:43 GMT 2025 , Edited by admin on Mon Mar 31 19:01:43 GMT 2025

ALTERNATIVE