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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)-

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

Approval Year

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
PRIMARY
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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