U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C13H20O
Molecular Weight 192.2973
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .DELTA.-DAMASCONE

SMILES

C\C=C\C(=O)C1C(C)C=CCC1(C)C

InChI

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

HIDE SMILES / InChI

Molecular Formula C13H20O
Molecular Weight 192.2973
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:15:28 GMT 2023
Edited
by admin
on Fri Dec 15 18:15:28 GMT 2023
Record UNII
7F4RIE5P7E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.DELTA.-DAMASCONE
FHFI  
Common Name English
DELTA DAMASCONE
Brand Name English
1-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE
Systematic Name English
FEMA NO. 3622
Code English
DAMASCONE, .DELTA.-
Common Name English
DELTA-DAMASCONE [INCI]
Common Name English
2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-, (2E)-
Systematic Name English
DELTA-DAMASCONE
INCI  
INCI  
Official Name English
DELTA-DAMASCONE [USP-RS]
Common Name English
2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-
Systematic Name English
.DELTA.-DAMASCONE [FHFI]
Common Name English
TRANS-DELTA-DAMASCONE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION DELTA-DAMASCONE
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION SCCS/1459/11
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
260-709-8
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
PRIMARY
FDA UNII
7F4RIE5P7E
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
PRIMARY
CAS
71048-82-3
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID1052456
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
PRIMARY
PUBCHEM
5365916
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
PRIMARY
DAILYMED
7F4RIE5P7E
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
275-156-8
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
ALTERNATIVE
CAS
57378-68-4
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
PRIMARY
RXCUI
2396782
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
PRIMARY
CAS
359865-01-3
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
JECFA MONOGRAPH
340
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
PRIMARY
RS_ITEM_NUM
1162637
Created by admin on Fri Dec 15 18:15:28 GMT 2023 , Edited by admin on Fri Dec 15 18:15:28 GMT 2023
PRIMARY