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Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-2,3-HEXANEDIONE

SMILES

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

InChI

InChIKey=PQCLJXVUAWLNSV-UHFFFAOYSA-N
InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
5-METHYL-2,3-HEXANEDIONE
FHFI  
Systematic Name English
METHYL-2,3-HEXANEDIONE, 5-
Systematic Name English
FEMA NO. 3190
Code English
5-METHYL-2,3-HEXANEDIONE [FHFI]
Common Name English
2,3-HEXANEDIONE, 5-METHYL-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 5-METHYL-2,3-HEXANEDIONE
Created by admin on Fri Dec 15 18:58:55 GMT 2023 , Edited by admin on Fri Dec 15 18:58:55 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
94
Created by admin on Fri Dec 15 18:58:55 GMT 2023 , Edited by admin on Fri Dec 15 18:58:55 GMT 2023
PRIMARY
PUBCHEM
26204
Created by admin on Fri Dec 15 18:58:55 GMT 2023 , Edited by admin on Fri Dec 15 18:58:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID7049215
Created by admin on Fri Dec 15 18:58:55 GMT 2023 , Edited by admin on Fri Dec 15 18:58:55 GMT 2023
PRIMARY
CAS
13706-86-0
Created by admin on Fri Dec 15 18:58:55 GMT 2023 , Edited by admin on Fri Dec 15 18:58:55 GMT 2023
PRIMARY
FDA UNII
ZI95KZ32L4
Created by admin on Fri Dec 15 18:58:55 GMT 2023 , Edited by admin on Fri Dec 15 18:58:55 GMT 2023
PRIMARY
ECHA (EC/EINECS)
237-241-8
Created by admin on Fri Dec 15 18:58:55 GMT 2023 , Edited by admin on Fri Dec 15 18:58:55 GMT 2023
PRIMARY