Methyl 2-oxocyclohexylcarboxylate supplier

Name
2-METHOXYCARBONYLCYCLOHEXANONE
EINECS 255-306-9
CAS No. 41302-34-5
Article Data55
CAS DataBase
Density 1.111 g/cm³
Solubility
Melting Point
Formula C₈H₁₂O₃
Boiling Point 230.8 °C at 760 mmHg
Molecular Weight 156.181
Flash Point 94.8 °C
Transport Information
Appearance clear colorless to slightly yellow liquid
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Methoxycarbonyl)cyclohexanone;2-Carbomethoxycyclohexanone;2-Oxocyclohexanecarboxylic acid methyl ester;Methyl 2-cyclohexanonecarboxylate;Methyl 2-oxo-1-cyclohexanecarboxylate;Methyl 2-oxocyclohexanecarboxylate;
PSA 43.37000
LogP 0.91870

Methyl 2-oxocyclohexylcarboxylate Specification

The CAS register number of Cyclohexanecarboxylicacid, 2-oxo-, methyl ester is 41302-34-5. It also can be called as Methyl 2-oxocyclohexanecarboxylate and the IUPAC name about this chemical is methyl 2-oxocyclohexane-1-carboxylate. The molecular formula about this chemical is C₈H₁₂O₃ and the molecular weight is 156.18. When you are using it, please do not breathe vapour and avoid contact with skin and eyes.

Physical properties about Cyclohexanecarboxylicacid, 2-oxo-, methyl ester are: (1)ACD/LogP: 0.29; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 43.37Å²; (5)Index of Refraction: 1.463; (6)Molar Refractivity: 38.75 cm³; (7)Molar Volume: 140.5 cm³; (8)Polarizability: 15.36x10^-24cm³; (9)Surface Tension: 38.2 dyne/cm; (10)Flash Point: 94.9 °C; (11)Enthalpy of Vaporization: 46.74 kJ/mol; (12)Boiling Point: 230.8 °C at 760 mmHg; (13)Vapour Pressure: 0.0646 mmHg at 25°C.

Preparation: this chemical can be prepared by heptanedioic acid dimethyl ester at ambient temperature. This reaction will need reagent TiCl₄, Bu₃N, TMSOTf and solvent toluene. The reaction time is 3 hour(s). The yield is about 60%.

Uses of Cyclohexanecarboxylicacid, 2-oxo-, methyl ester: it can be used to produce 2-oxo-1-propyl-cyclohexanecarboxylic acid methyl ester with 1-iodo-propane. This reaction will need reagent NaOMe and solvent dimethylsulfoxide, methanol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCC[C@@H]1C(=O)OC
(2)InChI: InChI=1/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6H,2-5H2,1H3/t6-/m0/s1
(3)InChIKey: JEENWEAPRWGXSG-LURJTMIEBR
(4)Std. InChI: InChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6H,2-5H2,1H3/t6-/m0/s1
(5)Std. InChIKey: JEENWEAPRWGXSG-LURJTMIESA-N

Product Name

2-METHOXYCARBONYLCYCLOHEXANONE

Methyl 2-oxocyclohexylcarboxylate Specification

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