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Details

Stereochemistry RACEMIC
Molecular Formula C7H12O
Molecular Weight 112.1696
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLCYCLOHEXANONE

SMILES

CC1CCCC(=O)C1

InChI

InChIKey=UJBOOUHRTQVGRU-UHFFFAOYSA-N
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H12O
Molecular Weight 112.1696
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Enantioselective separation on a naturally chiral surface.
2004 Nov 17
Enolate structure and electron affinity.
2005 Oct 6
Stepwise acid-promoted double-Michael process: an alternative to Diels-Alder cycloadditions for hindered silyloxydiene-dienophile pairs.
2007 Jan 18
Total synthesis of (+)-neomarinone.
2009
Enaminones 10. Molecular modeling aspects of the 5-methylcyclohexenone derivatives.
2009 Jul 15
Total synthesis of grandisine D.
2009 Mar 5
Asymmetric total syntheses of cyclic nitrone-containing phlegmarine-type Lycopodium alkaloids, lycoposerramines-X and -Z.
2009 Nov 20
Probing enantioselectivity on chirally modified Cu(110), Cu(100), and Cu(111) surfaces.
2010 Nov 2
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 20:40:40 GMT 2023
Edited
by admin
on Fri Dec 15 20:40:40 GMT 2023
Record UNII
255L4HTY2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLCYCLOHEXANONE
FHFI  
Systematic Name English
3-METHYLCYCLOHEXANONE [FHFI]
Common Name English
CYCLOHEXANONE, 3-METHYL- (+)
Common Name English
(RS)-3-METHYLCYCLOHEXANONE
Systematic Name English
FEMA NO. 3947
Code English
(±)-3-METHYLCYCLOHEXANONE
Systematic Name English
CYCLOHEXANONE, 3-METHYL-
Systematic Name English
3-METHYL-1-CYCLOHEXANONE
Systematic Name English
NSC-3709
Code English
Classification Tree Code System Code
JECFA EVALUATION 3-METHYLCYCLOHEXANONE
Created by admin on Fri Dec 15 20:40:40 GMT 2023 , Edited by admin on Fri Dec 15 20:40:40 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID50862256
Created by admin on Fri Dec 15 20:40:40 GMT 2023 , Edited by admin on Fri Dec 15 20:40:40 GMT 2023
PRIMARY
JECFA MONOGRAPH
1035
Created by admin on Fri Dec 15 20:40:40 GMT 2023 , Edited by admin on Fri Dec 15 20:40:40 GMT 2023
PRIMARY
PUBCHEM
11567
Created by admin on Fri Dec 15 20:40:40 GMT 2023 , Edited by admin on Fri Dec 15 20:40:40 GMT 2023
PRIMARY
CAS
591-24-2
Created by admin on Fri Dec 15 20:40:40 GMT 2023 , Edited by admin on Fri Dec 15 20:40:40 GMT 2023
PRIMARY
FDA UNII
255L4HTY2B
Created by admin on Fri Dec 15 20:40:40 GMT 2023 , Edited by admin on Fri Dec 15 20:40:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-710-7
Created by admin on Fri Dec 15 20:40:40 GMT 2023 , Edited by admin on Fri Dec 15 20:40:40 GMT 2023
PRIMARY
NSC
3709
Created by admin on Fri Dec 15 20:40:40 GMT 2023 , Edited by admin on Fri Dec 15 20:40:40 GMT 2023
PRIMARY