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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-CITRONELLAL, (S)-

SMILES

C[C@@H](CCCC(C)=C)CC=O

InChI

InChIKey=KQZAHMIZMBERJX-JTQLQIEISA-N
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h8,10H,1,4-7H2,2-3H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:50:05 GMT 2025
Edited
by admin
on Mon Mar 31 22:50:05 GMT 2025
Record UNII
5HVH2U9418
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-.ALPHA.-CITRONELLAL
Preferred Name English
.ALPHA.-CITRONELLAL, (S)-
Systematic Name English
7-OCTENAL, 3,7-DIMETHYL-, (3S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
72941617
Created by admin on Mon Mar 31 22:50:05 GMT 2025 , Edited by admin on Mon Mar 31 22:50:05 GMT 2025
PRIMARY
FDA UNII
5HVH2U9418
Created by admin on Mon Mar 31 22:50:05 GMT 2025 , Edited by admin on Mon Mar 31 22:50:05 GMT 2025
PRIMARY
CAS
86951-91-9
Created by admin on Mon Mar 31 22:50:05 GMT 2025 , Edited by admin on Mon Mar 31 22:50:05 GMT 2025
PRIMARY