U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 2-METHYLCYCLOHEXANONE

SMILES

CC1CCCCC1=O

InChI

InChIKey=LFSAPCRASZRSKS-UHFFFAOYSA-N
InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/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
Unfunctionalized, alpha-epimerizable nonracemic ketones and aldehydes can be accessed by crystallization-induced dynamic resolution of imines.
2003 Mar 19
Lithium hexamethyldisilazide-mediated ketone enolization: the influence of hindered dialkyl ethers and isostructural dialkylamines on reaction rates and mechanisms.
2004 Jan 23
Studies of the condensation of sulfones with ketones and aldehydes.
2006 Jan 20
N-(2,6-Dimethyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-2-hydr-oxy-2,2-di-phenyl-acetamide.
2008 Sep 13
1-Methyl-2,4-bis-(2-methoxy-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one.
2009 Nov 18
New 3H-indole synthesis by Fischer's method. Part I.
2010 Apr 8
2,4-Bis(4-chloro-phen-yl)-1-methyl-3-aza-bicyclo-[3.3.1]nonan-9-one.
2010 Feb 6
Searching for monooxygenases and hydrolases in bacteria from an extreme environment.
2010 Jun
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 21:16:00 GMT 2023
Edited
by admin
on Fri Dec 15 21:16:00 GMT 2023
Record UNII
56E8224ZFJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLCYCLOHEXANONE
FHFI   HSDB  
Systematic Name English
METHYL ANONE
Common Name English
NSC-524
Code English
.ALPHA.-METHYLCYCLOHEXANONE
Common Name English
2-METHYLCYCLOHEXANONE [HSDB]
Common Name English
CYCLOHEXANONE, 2-METHYL-
Systematic Name English
(±)-2-METHYLCYCLOHEXANONE
Systematic Name English
2-METHYL-1-CYCLOHEXANONE
Systematic Name English
FEMA NO. 3946
Code English
2-METHYLCYCLOHEXANONE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 2-METHYLCYCLOHEXANONE
Created by admin on Fri Dec 15 21:16:00 GMT 2023 , Edited by admin on Fri Dec 15 21:16:00 GMT 2023
Code System Code Type Description
FDA UNII
56E8224ZFJ
Created by admin on Fri Dec 15 21:16:00 GMT 2023 , Edited by admin on Fri Dec 15 21:16:00 GMT 2023
PRIMARY
JECFA MONOGRAPH
1034
Created by admin on Fri Dec 15 21:16:00 GMT 2023 , Edited by admin on Fri Dec 15 21:16:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID6052245
Created by admin on Fri Dec 15 21:16:00 GMT 2023 , Edited by admin on Fri Dec 15 21:16:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-513-6
Created by admin on Fri Dec 15 21:16:00 GMT 2023 , Edited by admin on Fri Dec 15 21:16:00 GMT 2023
PRIMARY
NSC
524
Created by admin on Fri Dec 15 21:16:00 GMT 2023 , Edited by admin on Fri Dec 15 21:16:00 GMT 2023
PRIMARY
MESH
C532535
Created by admin on Fri Dec 15 21:16:00 GMT 2023 , Edited by admin on Fri Dec 15 21:16:00 GMT 2023
PRIMARY
PUBCHEM
11419
Created by admin on Fri Dec 15 21:16:00 GMT 2023 , Edited by admin on Fri Dec 15 21:16:00 GMT 2023
PRIMARY
CAS
583-60-8
Created by admin on Fri Dec 15 21:16:00 GMT 2023 , Edited by admin on Fri Dec 15 21:16:00 GMT 2023
PRIMARY
HSDB
2917
Created by admin on Fri Dec 15 21:16:00 GMT 2023 , Edited by admin on Fri Dec 15 21:16:00 GMT 2023
PRIMARY