539430

Cyclohexanone diethyl ketal

97%

• Synonym(s): 1,1-Diethoxycyclohexane
• Empirical Formula (Hill Notation): C₁₀H₂₀O₂
• CAS Number: 1670-47-9
• Molecular Weight: 172.26
• EC Number: 216-798-0
• MDL number: MFCD00037723
• UNSPSC Code: 12352100
• PubChem Substance ID: 24878399
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• refractive index: n20/D 1.4360 (lit.)
• bp: 76-78 °C/20 mmHg (lit.)
• density: 0.908 g/mL at 25 °C (lit.)
• SMILES string: CCOC1(CCCCC1)OCC
• InChI: 1S/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3
• InChI key: MWUDABUKTZAZCX-UHFFFAOYSA-N

Description

General description

Cyclohexanone diethyl ketal (1,1-Diethoxycyclohexane) reacts with 1,3,2-benzodioxaborole [catecholborane (CB)] to form the corresponding ether. It undergoes thermal elimination reaction in gas-phase to yield 1-ethoxycyclohexene and ethanol.

Application

Cyclohexanone diethyl ketal may be used in the preparation of 1-ethoxycyclohexene.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H315,H319,H335
• Precautionary Statements: P210 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 140.0 °F
• Flash Point(C): 60 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves