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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O
Molecular Weight 100.1589
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL-N-BUTYL KETONE

SMILES

CCCCC(C)=O

InChI

InChIKey=QQZOPKMRPOGIEB-UHFFFAOYSA-N
InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H12O
Molecular Weight 100.1589
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:39:27 GMT 2023
Edited
by admin
on Sat Dec 16 18:39:27 GMT 2023
Record UNII
6QDY60NH6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL-N-BUTYL KETONE
Common Name English
METHYL BUTYL KETONE [MI]
Common Name English
MBK
Common Name English
2-HEXANONE [HSDB]
Common Name English
METHYL BUTYL KETONE
MI  
Systematic Name English
2-HEXANONE
HSDB  
Systematic Name English
BUTYL METHYL KETONE
Systematic Name English
METHYLBUTYLKETONE [USP-RS]
Common Name English
Code System Code Type Description
PUBCHEM
11583
Created by admin on Sat Dec 16 18:39:27 GMT 2023 , Edited by admin on Sat Dec 16 18:39:27 GMT 2023
PRIMARY
MERCK INDEX
m7377
Created by admin on Sat Dec 16 18:39:27 GMT 2023 , Edited by admin on Sat Dec 16 18:39:27 GMT 2023
PRIMARY Merck Index
HSDB
543
Created by admin on Sat Dec 16 18:39:27 GMT 2023 , Edited by admin on Sat Dec 16 18:39:27 GMT 2023
PRIMARY
CAS
591-78-6
Created by admin on Sat Dec 16 18:39:27 GMT 2023 , Edited by admin on Sat Dec 16 18:39:27 GMT 2023
PRIMARY
RS_ITEM_NUM
1601667
Created by admin on Sat Dec 16 18:39:27 GMT 2023 , Edited by admin on Sat Dec 16 18:39:27 GMT 2023
PRIMARY
FDA UNII
6QDY60NH6N
Created by admin on Sat Dec 16 18:39:27 GMT 2023 , Edited by admin on Sat Dec 16 18:39:27 GMT 2023
PRIMARY
WIKIPEDIA
2-HEXANONE
Created by admin on Sat Dec 16 18:39:27 GMT 2023 , Edited by admin on Sat Dec 16 18:39:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-731-1
Created by admin on Sat Dec 16 18:39:27 GMT 2023 , Edited by admin on Sat Dec 16 18:39:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID0022068
Created by admin on Sat Dec 16 18:39:27 GMT 2023 , Edited by admin on Sat Dec 16 18:39:27 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE -> PARENT