Ethoxyethyne

The Ethoxy acetylene, with the CAS registry number 927-80-0, is also known as 1-Ethoxyethyne. It belongs to the product categories of Alkynes; Organic Building Blocks; Terminal. Its EINECS registry number is 213-164-5. This chemical's molecular formula is C₄H₆O and molecular weight is 70.09. Its IUPAC name is called ethynoxyethane. This chemical is clear orange to brown solution. It should be sealed and stored in cool and dry place.

Physical properties of Ethoxy acetylene: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 1.81; (3)ACD/LogD (pH 7.4): 1.81; (4)ACD/BCF (pH 5.5): 13.88; (5)ACD/BCF (pH 7.4): 13.88; (6)ACD/KOC (pH 5.5): 228.75; (7)ACD/KOC (pH 7.4): 228.75; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.391; (11)Molar Refractivity: 20.15 cm³; (12)Molar Volume: 84.6 cm³; (13)Surface Tension: 25.3 dyne/cm; (14)Density: 0.827 g/cm³; (15)Flash Point: 9 °C; (16)Enthalpy of Vaporization: 27.9 kJ/mol; (17)Boiling Point: 47.4 °C at 760 mmHg; (18)Vapour Pressure: 337 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-2-ethoxy-ethene. This reaction will need reagent KOH. The reaction temperature is 90 - 100 °C.

Uses of Ethoxy acetylene: it can be used to produce 4-ethoxy-1,1,1,4-tetrachloro-but-3-en-2-one. This reaction will need reagent CH₂Cl₂. The yield is about 77%.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. This chemical may cause damage to health and may present an immediate or delayed danger to one or more components of the environment. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC#C
(2)InChI: InChI=1S/C4H6O/c1-3-5-4-2/h1H,4H2,2H3
(3)InChIKey: WMYNMYVRWWCRPS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	2400mg/kg (2400mg/kg)		"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 249, 1969.