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| CAS No.: | 762-21-0 |
|---|---|
| Name: | Diethyl acetylenedicarboxylate |
| Article Data: | 26 |
| Molecular Structure: | |
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|
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| Formula: | C8H10O4 |
| Molecular Weight: | 170.165 |
| Synonyms: | 2-Butynedioicacid, diethyl ester (9CI);Acetylenedicarboxylic acid, diethyl ester(6CI,7CI,8CI);Bis(carboethoxy)acetylene;Bis(ethoxycarbonyl)acetylene;Diethyl1,2-acetylenedicarboxylate;Diethylacetylenedicarboxylate;Diethyl acetylenedicarboxylic acid; |
| EINECS: | 212-095-8 |
| Density: | 1.127 g/cm3 |
| Melting Point: | 1-3 °C |
| Boiling Point: | 233.9 °C at 760 mmHg |
| Flash Point: | 94.4 °C |
| Solubility: | Soluble in ethanol, ethyl ether, CCl4, Insoluble in water. |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45-25 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 52.60000 |
| LogP: | 0.11600 |
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Specification
1.Introduction of Diethyl acetylenedicarboxylate
The Diethyl 2-butynedioate , with CAS number of 762-21-0, is a kind of clear light yellow liquid. It has synonyms of 2-butynedioic acid, diethyl ester and 2-Butynedioic acid, diethyl ester. Diethyl acetylenedicarboxylate should be stored in shady and cool warehouse and mainly used as reagent.
2.Properties of Diethyl acetylenedicarboxylate
(1) Molecular Weight: 170.1626 (2) H bond acceptors: 4 (3) H bond donors: 0
(4) Freely Rotating Bonds: 5 (5) Polar Surface Area: 52.6 Å2 (6) Index of Refraction: 1.451
(7) Molar Refractivity: 40.66 cm3 (8) Molar Volume: 150.8 cm3 (9) Surface Tension: 39.4 dyne/cm
(10) Density: 1.127 g/cm3 (11) Flash Point: 94.4 °C (12) Enthalpy of Vaporization: 47.06 kJ/mol
(13) Boiling Point: 233.9 °C at 760 mmHg (14) Vapour Pressure: 0.0546 mmHg at 25°C (15) Melting point: 1-3 °C
3.Structure descriptors of Diethyl acetylenedicarboxylate
IUPAC Name: diethyl but-2-ynedioate
InChI: InChI=1S/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3
InChIKey: STRNXFOUBFLVIN-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C#CC(=O)OCC
4.Safety information of Diethyl acetylenedicarboxylate
Hazard Codes: 
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45-25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S25:Avoid contact with eyes.
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
F: 8-10
HazardClass: 8
PackingGroup: III
HS Code: 29171990