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Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIETHYL-2,5-HEXANEDIONE, MESO-

SMILES

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

InChI

InChIKey=WTQCNKKZKCLSLA-AOOOYVTPSA-N
InChI=1S/C10H18O2/c1-5-9(7(3)11)10(6-2)8(4)12/h9-10H,5-6H2,1-4H3/t9-,10+

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:20:23 GMT 2025
Edited
by admin
on Mon Mar 31 23:20:23 GMT 2025
Record UNII
S4CY0C9HLT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-HEXANEDIONE, 3,4-DIETHYL-, (3R,4S)-REL-
Preferred Name English
3,4-DIETHYL-2,5-HEXANEDIONE, MESO-
Common Name English
2,5-HEXANEDIONE, 3,4-DIETHYL-, (R*,S*)-
Systematic Name English
Code System Code Type Description
CAS
34506-19-9
Created by admin on Mon Mar 31 23:20:23 GMT 2025 , Edited by admin on Mon Mar 31 23:20:23 GMT 2025
PRIMARY
CAS
54381-98-5
Created by admin on Mon Mar 31 23:20:23 GMT 2025 , Edited by admin on Mon Mar 31 23:20:23 GMT 2025
SUPERSEDED
FDA UNII
S4CY0C9HLT
Created by admin on Mon Mar 31 23:20:23 GMT 2025 , Edited by admin on Mon Mar 31 23:20:23 GMT 2025
PRIMARY
PUBCHEM
182195
Created by admin on Mon Mar 31 23:20:23 GMT 2025 , Edited by admin on Mon Mar 31 23:20:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID70188066
Created by admin on Mon Mar 31 23:20:23 GMT 2025 , Edited by admin on Mon Mar 31 23:20:23 GMT 2025
PRIMARY