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Propane,1,1-diethoxy-2-methyl-

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Name

Propane,1,1-diethoxy-2-methyl-

EINECS 217-107-5
CAS No. 1741-41-9 Density 0.84 g/cm3
PSA 18.46000 LogP 2.04150
Solubility N/A Melting Point N/A
Formula C8H18O2 Boiling Point 138 °C at 760 mmHg
Molecular Weight 146.23 Flash Point 22.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1741-41-9 (ISOBUTYRALDEHYDE DIETHYL ACETAL) Hazard Symbols Xi
Synonyms

2-Methylpropanal diethyl acetal;1,1-Diethoxy-2-methylpropane;Isobutyraldehyde, diethyl acetal;

Article Data 18

Propane,1,1-diethoxy-2-methyl- Specification

The Propane,1,1-diethoxy-2-methyl-, with the CAS registry number 1741-41-9, is also known as 2-Methylpropanal diethyl acetal. Its EINECS number is 217-107-5. This chemical's molecular formula is C8H18O2 and molecular weight is 146.23. What's more, its IUPAC name is 1,1-diethoxy-2-methylpropane.

Physical properties of Propane,1,1-diethoxy-2-methyl- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.32; (6)ACD/BCF (pH 7.4): 20.32; (7)ACD/KOC (pH 5.5): 300.49; (8)ACD/KOC (pH 7.4): 300.49; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.403; (14)Molar Refractivity: 42.51 cm3; (15)Molar Volume: 174 cm3; (16)Polarizability: 16.85×10-24cm3; (17)Surface Tension: 23.8 dyne/cm; (18)Density: 0.84 g/cm3; (19)Flash Point: 22.9 °C; (20)Enthalpy of Vaporization: 35.98 kJ/mol; (21)Boiling Point: 138 °C at 760 mmHg; (22)Vapour Pressure: 8.53 mmHg at 25°C.

Preparation: this chemical can be prepared by isobutyraldehyde and ethanol at the ambient temperature. This reaction will need reagents p-toluenesulfonic acid, ethyl orthoformiate with the reaction time of 3 days. The yield is about 47%.

Propane,1,1-diethoxy-2-methyl- can be prepared by isobutyraldehyde and ethanol at the ambient temperature

Uses of Propane,1,1-diethoxy-2-methyl-: it can be used to produce 1-ethoxy-2-methyl-propene. It will need reagent 85 percent H3PO4. The yield is about 70%.

Propane,1,1-diethoxy-2-methyl- can be used to produce 1-ethoxy-2-methyl-propene

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)C(OCC)C(C)C
(2)Std. InChI: InChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3
(3)Std. InChIKey: KZDFOVZPOBSHDH-UHFFFAOYSA-N

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