5-benzylcyclohexane-1,3-dione

Modify Date: 2025-08-21 12:40:08

5-benzylcyclohexane-1,3-dione Structure
5-benzylcyclohexane-1,3-dione structure
 Common Name 5-benzylcyclohexane-1,3-dione
CAS Number 40398-05-8 Molecular Weight 202.24900
Density N/A Boiling Point N/A
Molecular Formula C13H14O2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 5-benzylcyclohexane-1,3-dione
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C13H14O2
Molecular Weight 202.24900
Exact Mass 202.09900
PSA 34.14000
LogP 2.16740
InChIKey WYHYLVFEMYKTNG-UHFFFAOYSA-N
SMILES O=C1CC(=O)CC(Cc2ccccc2)C1

 Synthetic Route

5-Phenyl-3-penten-2-one structure

5-Phenyl-3-pent...

CAS#:10521-97-8

Diethyl malonate structure

Diethyl malonate

CAS#:105-53-3

~%

5-benzylcyclohexane-1,3-dione Structure

5-benzylcyclohe...

CAS#:40398-05-8

Literature: Zhang, Wei; Benmohamed, Radhia; Arvanites, Anthony C.; Morimoto, Richard I.; Ferrante, Robert J.; Kirsch, Donald R.; Silverman, Richard B. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 2 p. 1029 - 1045
6-Phenylhex-3-en-2-one structure

6-Phenylhex-3-e...

CAS#:33046-41-2

Sodium ethoxide structure

Sodium ethoxide

CAS#:141-52-6

~33%

5-benzylcyclohexane-1,3-dione Structure

5-benzylcyclohe...

CAS#:40398-05-8

Literature: Canela, Maria-Dolores; Perez-Perez, Maria-Jesus; Noppen, Sam; Saez-Calvo, Gonzalo; Diaz, J. Fernando; Camarasa, Maria-Jose; Liekens, Sandra; Priego, Eva-Maria Journal of Medicinal Chemistry, 2014 , vol. 57, # 10 p. 3924 - 3938
Phenylacetaldehyde structure

Phenylacetaldehyde

CAS#:122-78-1

~%

5-benzylcyclohexane-1,3-dione Structure

5-benzylcyclohe...

CAS#:40398-05-8

Literature: Linstead; Williams Journal of the Chemical Society, 1926 , p. 2745
4-Phenylbut-3-enoic acid structure

4-Phenylbut-3-e...

CAS#:2243-53-0

~%

5-benzylcyclohexane-1,3-dione Structure

5-benzylcyclohe...

CAS#:40398-05-8

Literature: Linstead; Williams Journal of the Chemical Society, 1926 , p. 2745
β-benzalpropionic acid chloride structure

β-benzalpropion...

CAS#:60773-92-4

~%

5-benzylcyclohexane-1,3-dione Structure

5-benzylcyclohe...

CAS#:40398-05-8

Literature: Linstead; Williams Journal of the Chemical Society, 1926 , p. 2745
phenyl-5 pentene-4 one-2 structure

phenyl-5 penten...

CAS#:877-94-1

sodium 1,3-diethoxy-1,3-dioxopropan-2-ide structure

sodium 1,3-diet...

CAS#:996-82-7

~%

5-benzylcyclohexane-1,3-dione Structure

5-benzylcyclohe...

CAS#:40398-05-8

Literature: Linstead; Williams Journal of the Chemical Society, 1926 , p. 2745
Ethanol structure

Ethanol

CAS#:64-17-5

phenyl-5 pentene-4 one-2 structure

phenyl-5 penten...

CAS#:877-94-1

sodium 1,3-diethoxy-1,3-dioxopropan-2-ide structure

sodium 1,3-diet...

CAS#:996-82-7

~%

5-benzylcyclohexane-1,3-dione Structure

5-benzylcyclohe...

CAS#:40398-05-8

Literature: Linstead; Williams Journal of the Chemical Society, 1926 , p. 2745

 Synonyms

1,3-Cyclohexanedione,5-(phenylmethyl)
5-Benzyl-cyclohexan-1,3-dion
5-benzyl-cyclohexane-1,3-dione
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