Cyclohexane,4-(1,1-dimethylethyl)-1,1-diethoxy- supplier

Name
4-TERT-BUTYLCYCLOHEXANONE DIETHYL ACETAL
EINECS
CAS No. 1900-58-9
Article Data4
CAS DataBase
Density 0.89 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₈O₂
Boiling Point 267.5 °C at 760 mmHg
Molecular Weight 228.375
Flash Point 78.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanone,4-tert-butyl-, diethyl acetal (7CI,8CI);Cyclohexane,4-tert-butyl-1,1-diethoxy-;4-tert-Butylcyclohexanone diethyl acetal;4-tert-Butyl-1,1-diethoxycyclohexane;AC1L3A86;CID137253;SBB008037;
PSA 18.46000
LogP 3.99200

Cyclohexane,4-(1,1-dimethylethyl)-1,1-diethoxy- Specification

The Cyclohexane,4-(1,1-dimethylethyl)-1,1-diethoxy- with CAS registry number of 1900-58-9 is also known as 4-tert-Butylcyclohexanone diethyl acetal. The IUPAC name is 4-tert-Butyl-1,1-diethoxycyclohexane. In addition, the formula is C₁₄H₂₈O₂ and the molecular weight is 228.37.

Physical properties about Cyclohexane,4-(1,1-dimethylethyl)-1,1-diethoxy- are: (1)ACD/LogP: 4.08; (2)ACD/LogD (pH 5.5): 4.08; (3)ACD/LogD (pH 7.4): 4.08; (4)ACD/BCF (pH 5.5): 742.7; (5)ACD/BCF (pH 7.4): 742.7; (6)ACD/KOC (pH 5.5): 3949.38; (7)ACD/KOC (pH 7.4): 3949.38; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.448; (11)Molar Refractivity: 68.29 cm³; (12)Molar Volume: 254.8 cm³; (13)Surface Tension: 29.2 dyne/cm; (14)Density: 0.89 g/cm³; (15)Flash Point: 78.3 °C; (16)Enthalpy of Vaporization: 48.52 kJ/mol; (17)Boiling Point: 267.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0134 mmHg at 25 °C.

Uses of Cyclohexane,4-(1,1-dimethylethyl)-1,1-diethoxy-: it is used to produce 4-tert-butyl-cyclohexanone. The reaction occurs with reagent P₂I₄ and solvent CH₂Cl₂ at the temperature of 60 °C for 6 hours. The yield is about 65%.

Cyclohexane,4-(1,1-dimethylethyl)-1,1-diethoxy- is used to produce 4-tert-butyl-cyclohexanone.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOC1(CCC(CC1)C(C)(C)C)OCC
2. InChI: InChI=1S/C14H28O2/c1-6-15-14(16-7-2)10-8-12(9-11-14)13(3,4)5/h12H,6-11H2,1-5H3
3. InChIKey: QTSXNUWFLGKEKB-UHFFFAOYSA-N

Product Name

4-TERT-BUTYLCYCLOHEXANONE DIETHYL ACETAL

Cyclohexane,4-(1,1-dimethylethyl)-1,1-diethoxy- Specification

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