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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, (E)-

SMILES

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

InChI

InChIKey=CRIGTVCBMUKRSL-FNORWQNLSA-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 Fri Dec 15 19:09:12 GMT 2023
Edited
by admin
on Fri Dec 15 19:09:12 GMT 2023
Record UNII
MDD00FOW8J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-DAMASCONE, (E)-
Common Name English
FEMA NO. 4088
Code English
DAMASCONE, TRANS-.ALPHA.-
Common Name English
(±)-(E)-1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE
Systematic Name English
TRANS-.ALPHA.-DAMASCONE
FHFI  
Common Name English
TRANS-2,6,6-TRIMETHYL-1-CROTONOYL-2-CYCLOHEXENE
Systematic Name English
.ALPHA.-DAMASCONE, TRANS-
Common Name English
TRANS-.ALPHA.-DAMASCONE [FHFI]
Common Name English
(E)-.ALPHA.-DAMASCONE
Common Name English
2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (2E)-
Systematic Name English
2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-
Systematic Name English
(±)-(E)-.ALPHA.-DAMASCONE
Common Name English
Code System Code Type Description
SMS_ID
300000022152
Created by admin on Fri Dec 15 19:09:12 GMT 2023 , Edited by admin on Fri Dec 15 19:09:12 GMT 2023
PRIMARY
PUBCHEM
5366077
Created by admin on Fri Dec 15 19:09:12 GMT 2023 , Edited by admin on Fri Dec 15 19:09:12 GMT 2023
PRIMARY
FDA UNII
MDD00FOW8J
Created by admin on Fri Dec 15 19:09:12 GMT 2023 , Edited by admin on Fri Dec 15 19:09:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID8051912
Created by admin on Fri Dec 15 19:09:12 GMT 2023 , Edited by admin on Fri Dec 15 19:09:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
246-430-4
Created by admin on Fri Dec 15 19:09:12 GMT 2023 , Edited by admin on Fri Dec 15 19:09:12 GMT 2023
PRIMARY
JECFA MONOGRAPH
2162
Created by admin on Fri Dec 15 19:09:12 GMT 2023 , Edited by admin on Fri Dec 15 19:09:12 GMT 2023
PRIMARY
CAS
24720-09-0
Created by admin on Fri Dec 15 19:09:12 GMT 2023 , Edited by admin on Fri Dec 15 19:09:12 GMT 2023
PRIMARY