.ALPHA.-DAMASCONE, (Z)-

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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.-DAMASCONE, (Z)-

Structure Search

SMILES

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

InChI

InChIKey=CRIGTVCBMUKRSL-ALCCZGGFSA-N

InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5-

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 `Mon Mar 31 19:49:41 GMT 2025` Edited by `admin` on `Mon Mar 31 19:49:41 GMT 2025`
Record UNII	K75Q978U9D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(Z)-.ALPHA.-DAMASCONE

Preferred Name

English

.ALPHA.-DAMASCONE, (Z)-

Common Name

English

CIS-.ALPHA.-DAMASCONE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

6436548

Created by admin on Mon Mar 31 19:49:41 GMT 2025 , Edited by admin on Mon Mar 31 19:49:41 GMT 2025

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EPA CompTox

DTXSID2051891

Created by admin on Mon Mar 31 19:49:41 GMT 2025 , Edited by admin on Mon Mar 31 19:49:41 GMT 2025

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FDA UNII

K75Q978U9D

Created by admin on Mon Mar 31 19:49:41 GMT 2025 , Edited by admin on Mon Mar 31 19:49:41 GMT 2025

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SMS_ID

300000022151

Created by admin on Mon Mar 31 19:49:41 GMT 2025 , Edited by admin on Mon Mar 31 19:49:41 GMT 2025

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ECHA (EC/EINECS)

245-845-8

Created by admin on Mon Mar 31 19:49:41 GMT 2025 , Edited by admin on Mon Mar 31 19:49:41 GMT 2025

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CAS

23726-94-5

Created by admin on Mon Mar 31 19:49:41 GMT 2025 , Edited by admin on Mon Mar 31 19:49:41 GMT 2025

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