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Details

Stereochemistry RACEMIC
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-CITRONELLAL

SMILES

CC(CCCC(C)=C)CC=O

InChI

InChIKey=KQZAHMIZMBERJX-UHFFFAOYSA-N
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h8,10H,1,4-7H2,2-3H3

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:12 GMT 2023
Edited
by admin
on Sat Dec 16 09:46:12 GMT 2023
Record UNII
A02IC9965Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-CITRONELLAL
MI  
Systematic Name English
.ALPHA.-CITRONELLAL [MI]
Common Name English
7-OCTENAL, 3,7-DIMETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
205-474-4
Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023
PRIMARY
DAILYMED
A02IC9965Z
Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID60873313
Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023
PRIMARY
FDA UNII
A02IC9965Z
Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023
PRIMARY
PUBCHEM
101628
Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023
PRIMARY
CAS
141-26-4
Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023
PRIMARY
RXCUI
2472775
Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023
PRIMARY
MERCK INDEX
m3598
Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023
PRIMARY Merck Index