.BETA.-DAMASCONE, (E)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H20O
Molecular Weight	192.2973
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-DAMASCONE, (E)-

Structure Search

SMILES

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

InChI

InChIKey=BGTBFNDXYDYBEY-FNORWQNLSA-N

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

HIDE SMILES / InChI

Molecular Formula	C13H20O
Molecular Weight	192.2973
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 `Fri Dec 15 18:08:16 GMT 2023` Edited by `admin` on `Fri Dec 15 18:08:16 GMT 2023`
Record UNII	I75J0X33Q6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-DAMASCONE, (E)-

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

FEMA NO. 3243, E-

Code

English

TRANS-.BETA.-DAMASCONE

Common Name

English

(E)-BETA-DAMASCONE

Common Name

English

.BETA.-DAMASCONE, TRANS-

Common Name

English

(E)-.BETA.-DAMASCONE

Common Name

English

TRANS-2,6,6-TRIMETHYL-1-CROTONYLCYCLOHEX-1-ENE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID7051890

Created by admin on Fri Dec 15 18:08:16 GMT 2023 , Edited by admin on Fri Dec 15 18:08:16 GMT 2023

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WIKIPEDIA

Damascone

Created by admin on Fri Dec 15 18:08:16 GMT 2023 , Edited by admin on Fri Dec 15 18:08:16 GMT 2023

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ECHA (EC/EINECS)

245-842-1

Created by admin on Fri Dec 15 18:08:16 GMT 2023 , Edited by admin on Fri Dec 15 18:08:16 GMT 2023

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PUBCHEM

5374527

Created by admin on Fri Dec 15 18:08:16 GMT 2023 , Edited by admin on Fri Dec 15 18:08:16 GMT 2023

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FDA UNII

I75J0X33Q6

Created by admin on Fri Dec 15 18:08:16 GMT 2023 , Edited by admin on Fri Dec 15 18:08:16 GMT 2023

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SMS_ID

300000022153

Created by admin on Fri Dec 15 18:08:16 GMT 2023 , Edited by admin on Fri Dec 15 18:08:16 GMT 2023

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CAS

23726-91-2

Created by admin on Fri Dec 15 18:08:16 GMT 2023 , Edited by admin on Fri Dec 15 18:08:16 GMT 2023

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