ethyl 2-cyanoprop-2-enoate

• ChemBase ID: 127327
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: N#CC(=C)C(=O)OCC
• Canonical SMILES: CCOC(=O)C(=C)C#N
• InChI: InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3
• InChIKey: FGBJXOREULPLGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-cyanoprop-2-enoate
• IUPAC Traditional name: ethyl cyanoacrylate
• Synonyms: Ethyl cyanoacrylate; Ethyl 2-cyanoacrylate; 2-Cyano-2-propenoic Acid Ethyl Ester; 2-Cyanoacrylic Acid Ethyl Ester; 910EM; ACE-E 50; ACE-EE; Adhesive 502; Anacure 3020; Loctite E 406; Sicomet 5195; Sicomet 8400; TB 1743; TK 200; Ethyl 2-Cyanoacrylate; 2-氰基丙烯酸乙酯

Database IDs

• CAS Number: 7085-85-0
• EC Number: 230-391-5
• MDL Number: MFCD00045615
• PubChem SID: 162221648; 24894417
• PubChem CID: 81530
• Chemspider ID: 73564
• Unique Ingredient Identifier: 2G95FOH7SF
• Wikipedia Title: Ethyl_cyanoacrylate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0808413
• LogD (pH = 7.4): 1.0808413
• Log P: 1.0808413
• Molar Refractivity: 31.8627 cm^3
• Polarizability: 12.186206 Å^3
• Polar Surface Area: 50.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Clear Colourless Liquid; liquid
• Melting Point: -22 °C
• Boiling Point: 54-56 °C at 3mm Hg
• Flash Point: 185 °F; 85 °C
• Density: 1.06 g/mL

Safety Information

• Storage Condition: -20°C Freezer
• RTECS: UD3330000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 23-24/25-26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

DETAILS

Sigma Aldrich - E1505

包装
5, 10 g in poly bottle

Toronto Research Chemicals - E905600

A cosmetic composition.

REFERENCES

• El-Samaligy, M., et al.: J. Pharm. Pharmacol., 38, 216 (1986)
• Sarciaux, J., et al.: Int. J. Pharm., 120, 127 (1986)
• Watnasirichaikul, S., et al.: Pharm. Res., 17, 684 (1986)