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927-80-0

Basic Information
CAS No.: 927-80-0
Name: Ethoxyethyne
Article Data: 27
Molecular Structure:
Molecular Structure of 927-80-0 (Ethoxyethyne)
Formula: C4H6O
Molecular Weight: 70.091
Synonyms: Ether,ethyl ethynyl (6CI,8CI);1-Ethoxyethyne;Ethoxyacetylene;Ethylethynyl ether;Ethynyl ethyl ether;
EINECS: 213-164-5
Density: 0.802 g/cm3
Boiling Point: 47.4 °C at 760 mmHg
Flash Point: 9 °C
Solubility: Slightly miscible with water.
Appearance: Clear orange to brown solution
Hazard Symbols: FlammableF,HarmfulXn,DangerousN
Risk Codes: 11-38-48/20-51/53-62-65-67-36/37/38
Safety: 16-36/37-61-62-45-36/37/39-26
Transport Information: UN 1993 3/PG 2
PSA: 9.23000
LogP: 0.61360
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    Product Name: Ethoxyethyne CAS: 927-80-0 MF: C4H6O MW: 70.09 EINECS: 213-164-5 Mol File: 927-80-0.mol Ethoxyethyne Structure Ethoxyethyne Chemical Properties Boiling point 53°C density 0.732 g/mL at 25 °C refractiv

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  • Ethoxyethyne

  • Casno:

    927-80-0

    Ethoxyethyne

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  • Casno:

    927-80-0

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  • Ethoxyethyne

  • Casno:

    927-80-0

    Ethoxyethyne

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Specification

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.