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Details

Stereochemistry RACEMIC
Molecular Formula C8H16O
Molecular Weight 128.212
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-3-HEPTANONE

SMILES

CCC(C)CC(=O)CC

InChI

InChIKey=PSBKJPTZCVYXSD-UHFFFAOYSA-N
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H16O
Molecular Weight 128.212
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:10:44 UTC 2023
Edited
by admin
on Sat Dec 16 08:10:44 UTC 2023
Record UNII
9RQ13D247K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYL-3-HEPTANONE
MI  
Systematic Name English
AMYL ETHYL KETONE
Systematic Name English
ETHYL 2-METHYLBUTYL KETONE
Systematic Name English
5-METHYL-3-HEPTANONE [MI]
Common Name English
EAK
Common Name English
(±)-5-METHYL-3-HEPTANONE
Systematic Name English
2-METHYLBUTYL ETHYL KETONE
Systematic Name English
NSC-100734
Code English
3-HEPTANONE, 5-METHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
208-793-7
Created by admin on Sat Dec 16 08:10:44 UTC 2023 , Edited by admin on Sat Dec 16 08:10:44 UTC 2023
PRIMARY
PUBCHEM
7822
Created by admin on Sat Dec 16 08:10:44 UTC 2023 , Edited by admin on Sat Dec 16 08:10:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID9047047
Created by admin on Sat Dec 16 08:10:44 UTC 2023 , Edited by admin on Sat Dec 16 08:10:44 UTC 2023
PRIMARY
MERCK INDEX
m7426
Created by admin on Sat Dec 16 08:10:44 UTC 2023 , Edited by admin on Sat Dec 16 08:10:44 UTC 2023
PRIMARY Merck Index
CAS
541-85-5
Created by admin on Sat Dec 16 08:10:44 UTC 2023 , Edited by admin on Sat Dec 16 08:10:44 UTC 2023
PRIMARY
NSC
100734
Created by admin on Sat Dec 16 08:10:44 UTC 2023 , Edited by admin on Sat Dec 16 08:10:44 UTC 2023
PRIMARY
CHEBI
80946
Created by admin on Sat Dec 16 08:10:44 UTC 2023 , Edited by admin on Sat Dec 16 08:10:44 UTC 2023
PRIMARY
FDA UNII
9RQ13D247K
Created by admin on Sat Dec 16 08:10:44 UTC 2023 , Edited by admin on Sat Dec 16 08:10:44 UTC 2023
PRIMARY