CAS No.4819-77-6,1,1,2-TRIETHOXYETHANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4819-77-6
Name:	1,1,2-TRIETHOXYETHANE
Article Data:	22

Formula:	C₈H₁₈O₃
Molecular Weight:	162.229
Synonyms:	Acetaldehyde,ethoxy-, diethyl acetal (6CI,7CI,8CI);1,1,2-Triethoxyethane;1,2,2-Triethoxyethane;Ethoxyacetaldehyde diethyl acetal;NSC 62041;
EINECS:	225-394-3
Density:	0.901 g/cm³
Boiling Point:	180.9 °C at 760 mmHg
Flash Point:	59.6 °C
Hazard Symbols:	Xi
Risk Codes:	10
Safety:	16-26
Transport Information:	3271
PSA:	27.69000
LogP:	1.42200

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- China (Mainland)(17)
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Specification

This chemical is called Ethane, 1,1,2-triethoxy-, and its systematic name is 1,1,2-Triethoxyethane. With the molecular formula of C₈H₁₈O₃, its molecular weight is 162.23. The CAS registry number of this chemical is 4819-77-6.

Other characteristics of the Ethane, 1,1,2-triethoxy- can be summarised as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.39; (6)ACD/BCF (pH 7.4): 5.39; (7)ACD/KOC (pH 5.5): 116.25; (8)ACD/KOC (pH 7.4): 116.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 44.3 cm³; (15)Molar Volume: 180 cm³; (16)Polarizability: 17.56×10^-24cm³; (17)Surface Tension: 26 dyne/cm; (18)Density: 0.901 g/cm³; (19)Flash Point: 59.6 °C; (20)Enthalpy of Vaporization: 40.01 kJ/mol; (21)Boiling Point: 180.9 °C at 760 mmHg; (22)Vapour Pressure: 1.19 mmHg at 25°C.

Uses of this chemical: The Ethane, 1,1,2-triethoxy- could react with 1-bromo-but-2-yne, and obtain the 4,5-diethoxy-3-methyl-penta-1,2-diene. This reaction needs the reagent of aluminium, and the solvent of diethyl ether. The yield is 66 %. In addition, this reaction should be taken for 3 hours at the temperature of 35 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is flammable. Keep it away from sources of ignition. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O(CC(OCC)OCC)CC
2.InChI: InChI=1/C8H18O3/c1-4-9-7-8(10-5-2)11-6-3/h8H,4-7H2,1-3H3
3.InChIKey: VNSJUZIHZNZLKM-UHFFFAOYAS