1,1-Diethoxybutane supplier

Name
1,1-Diethoxybutane
EINECS 222-913-5
CAS No. 3658-95-5
Article Data32
CAS DataBase
Density 0.841 g/cm³
Solubility
Melting Point
Formula C₈H₁₈O₂
Boiling Point 142.999 °C at 760 mmHg
Molecular Weight 146.23
Flash Point 28.914 °C
Transport Information
Appearance Clear colorless liquid
Safety 26-37/39-16
Risk Codes 10-36/38
Molecular Structure
Hazard Symbols Xi
Synonyms Butyraldehyde,diethyl acetal (6CI,7CI,8CI);Butanal diethyl acetal;Butylaldehyde diethyl acetal;Butyraldehyde ethyl acetal;
PSA 18.46000
LogP 2.18560

1,1-Diethoxybutane Specification

The 1,1-Diethoxybutane, with the CAS registry number 3658-95-5, is also known as Butyraldehyde diethyl acetal. Its EINECS registry number is 222-913-5. This chemical's molecular formula is C₈H₁₈O₂ and molecular weight is 146.23. What's more, its IUPAC name is the same with its product name.

Physical properties about 1,1-Diethoxybutane are: (1)ACD/LogP: 2.041; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.94; (6)ACD/BCF (pH 7.4): 20.94; (7)ACD/KOC (pH 5.5): 307.01; (8)ACD/KOC (pH 7.4): 307.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.405; (14)Molar Refractivity: 42.561 cm³; (15)Molar Volume: 173.691 cm³; (16)Polarizability: 16.872×10^-24cm³; (17)Surface Tension: 24.684 dyne/cm; (18)Density: 0.842 g/cm³; (19)Flash Point: 28.914 °C; (20)Enthalpy of Vaporization: 36.445 kJ/mol; (21)Boiling Point: 142.999 °C at 760 mmHg; (22)Vapour Pressure: 6.833 mmHg at 25 °C.

Preparation of 1,1-Diethoxybutane: this chemical can be prepared by butyraldehyde with ethanol. This reaction needs reagent CaCl₂ at ambient temperature. The yield is 72 %.

1,1-Diethoxybutane can be prepared by butyraldehyde with ethanol.

Uses of 1,1-Diethoxybutane: it is used to produce other chemicals. For example, it can react with 4-Methyl-2-trimethylsiloxy-1,3-pentadien to get 6-ethoxy-2-methyl-non-2-en-4-one. The reaction occurs with catalyzer stannic chloride. The yield is 61 %.

1,1-Diethoxybutane can react with 4-Methyl-2-trimethylsiloxy-1,3-pentadien to get 6-ethoxy-2-methyl-non-2-en-4-one.

You can still convert the following datas into molecular structure:
(1) SMILES: O(CC)C(OCC)CCC
(2) InChI: InChI=1S/C8H18O2/c1-4-7-8(9-5-2)10-6-3/h8H,4-7H2,1-3H3
(3) InChIKey: UVHXZFGCCJLFMX-UHFFFAOYSA-N

Product Name

1,1-Diethoxybutane

1,1-Diethoxybutane Specification

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