furan-2-ylmethyl 2-methylprop-2-enoate

• ChemBase ID: 147975
• Molecular Formular: C9H10O3
• Molecular Mass: 166.1739
• Monoisotopic Mass: 166.06299418
• SMILES: CC(=C)C(=O)OCc1ccco1
• Canonical SMILES: CC(=C)C(=O)OCc1ccco1
• InChI: InChI=1S/C9H10O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h3-5H,1,6H2,2H3
• InChIKey: DWXAVNJYFLGAEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-ylmethyl 2-methylprop-2-enoate
• IUPAC Traditional name: furan-2-ylmethyl 2-methylprop-2-enoate
• Synonyms: Furfuryl methacrylate; 甲基丙烯酸糠酯

Database IDs

• CAS Number: 3454-28-2
• EC Number: 222-383-5
• MDL Number: MFCD00046113
• PubChem SID: 24865763; 162242155
• PubChem CID: 76993

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.092445
• LogD (pH = 7.4): 2.092445
• Log P: 2.092445
• Molar Refractivity: 43.4211 cm^3
• Polarizability: 16.938051 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80-82 °C/5 mmHg(lit.)
• Flash Point: 195.8 °F; 91 °C
• Density: 1.078 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.482(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 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, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Contains: 200 ppm monomethyl ether hydroquinone as inhibitor
• Empirical Formula (Hill Notation): C9H10O3

DETAILS

Sigma Aldrich - 411760

Packaging
25, 100 mL in poly bottle