2-methyl-2-(3-oxopentyl)cyclohexane-1,3-dione

Modify Date: 2025-08-25 19:04:46

2-methyl-2-(3-oxopentyl)cyclohexane-1,3-dione Structure
2-methyl-2-(3-oxopentyl)cyclohexane-1,3-dione structure
 Common Name 2-methyl-2-(3-oxopentyl)cyclohexane-1,3-dione
CAS Number 57440-68-3 Molecular Weight 210.27000
Density N/A Boiling Point N/A
Molecular Formula C12H18O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-methyl-2-(3-oxopentyl)cyclohexane-1,3-dione

 Chemical & Physical Properties

Molecular Formula C12H18O3
Molecular Weight 210.27000
Exact Mass 210.12600
PSA 51.21000
LogP 2.07410
InChIKey ZARBRIHTWIAEBW-UHFFFAOYSA-N
SMILES CCC(=O)CCC1(C)C(=O)CCCC1=O

 Synthetic Route

2-methyl-1,3-cyclohexandione structure

2-methyl-1,3-cy...

CAS#:1193-55-1

1-Penten-3-one structure

1-Penten-3-one

CAS#:1629-58-9

~93%

2-methyl-2-(3-oxopentyl)cyclohexane-1,3-dione Structure

2-methyl-2-(3-o...

CAS#:57440-68-3

Literature: Ling, Taotao; Xu, Jing; Smith, Ryan; Ali, Abbas; Cantrell, Charles L.; Theodorakis, Emmanuel A. Tetrahedron, 2011 , vol. 67, # 17 p. 3023 - 3029
2-methyl-1,3-cyclohexandione structure

2-methyl-1,3-cy...

CAS#:1193-55-1

1-CHLORO-3-PENTANONE structure

1-CHLORO-3-PENTANONE

CAS#:32830-97-0

~82%

2-methyl-2-(3-oxopentyl)cyclohexane-1,3-dione Structure

2-methyl-2-(3-o...

CAS#:57440-68-3

Literature: Lanfranchi, Don Antoine; Baldovini, Nicolas; Hanquet, Gilles Synthesis, 2008 , # 23 art. no. Z12008SS, p. 3775 - 3778
1-Penten-3-one structure

1-Penten-3-one

CAS#:1629-58-9

3-hydroxy-2-methylcyclohex-2-en-1-one structure

3-hydroxy-2-met...

CAS#:32774-63-3

~%

2-methyl-2-(3-oxopentyl)cyclohexane-1,3-dione Structure

2-methyl-2-(3-o...

CAS#:57440-68-3

Literature: Hiroi; Yamada Chemical and Pharmaceutical Bulletin, 1975 , vol. 23, # 5 p. 1103 - 1109
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Chemsrc provides CAS#:57440-68-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-methyl-2-(3-oxopentyl)cyclohexane-1,3-dione>> amp version: 2-methyl-2-(3-oxopentyl)cyclohexane-1,3-dione

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