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557-31-3

Basic Information
CAS No.: 557-31-3
Name: ALLYL ETHYL ETHER
Article Data: 49
Molecular Structure:
Molecular Structure of 557-31-3 (ALLYL ETHYL ETHER)
Formula: C5H10O
Molecular Weight: 86.1338
Synonyms: Ether,allyl ethyl (6CI,7CI,8CI);3-Ethoxy-1-propene;Allyl ethyl ether;Ethyl2-propenyl ether;Ethyl allyl ether;
EINECS: 209-169-7
Density: 0.765 g/cm3
Melting Point: -140°C (estimate)
Boiling Point: 63.3 °C at 760 mmHg
Flash Point: −5 °F
Solubility: Soluble in organic solvents, miscible with ethanol, diethyl ether. Insoluble in water.
Appearance: clear colorless liquid
Hazard Symbols: FlammableF,IrritantXi,ToxicT
Risk Codes: 11-36/37/38
Safety: 16-26
Transport Information: UN 2335 3
PSA: 9.23000
LogP: 1.20890
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Specification

The 1-Propene, 3-ethoxy-, with the CAS registry number 557-31-3, has the systematic name of 3-ethoxyprop-1-ene. It is a kind of clear colourless liquid, and should be stored in the refrigerator. And the molecular formula of the chemical is C5H10O.

The characteristics of 1-Propene, 3-ethoxy- are as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 5.51; (6)ACD/BCF (pH 7.4): 5.51; (7)ACD/KOC (pH 5.5): 118.04; (8)ACD/KOC (pH 7.4): 118.04; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.39; (14)Molar Refractivity: 26.68 cm3; (15)Molar Volume: 112.5 cm3; (16)Polarizability: 10.57×10-24cm3; (17)Surface Tension: 20.6 dyne/cm; (18)Density: 0.765 g/cm3; (19)Enthalpy of Vaporization: 29.28 kJ/mol; (20)Boiling Point: 63.3 °C at 760 mmHg; (21)Vapour Pressure: 185 mmHg at 25°C.

Uses of 1-Propene, 3-ethoxy-: It can react with chloro-dimethyl-silane to produce (3-ethoxypropyl)dimethylchlorosilane. This reaction will need reagent H2PtCl6. The reaction time is 12 hours with temperature of 60°C, and the yield is about 50%.   

You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C=CCOCC
(2)InChI: InChI=1/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3
(3)InChIKey: OJPSFJLSZZTSDF-UHFFFAOYAV