oxolan-2-ylmethyl 2-methylprop-2-enoate

• ChemBase ID: 146707
• Molecular Formular: C9H14O3
• Molecular Mass: 170.20566
• Monoisotopic Mass: 170.09429431
• SMILES: CC(=C)C(=O)OCC1CCCO1
• Canonical SMILES: CC(=C)C(=O)OCC1CCCO1
• InChI: InChI=1S/C9H14O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h8H,1,3-6H2,2H3
• InChIKey: LCXXNKZQVOXMEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-2-ylmethyl 2-methylprop-2-enoate
• IUPAC Traditional name: oxolan-2-ylmethyl 2-methylprop-2-enoate
• Synonyms: Tetrahydrofurfuryl methacrylate; Methacrylic acid tetrahydrofurfuryl ester; 甲基丙烯酸四氢糠基酯; 甲基丙烯酸四氢糠酯

Database IDs

• CAS Number: 2455-24-5
• EC Number: 219-529-5
• MDL Number: MFCD00014515
• Beilstein Number: 117423
• PubChem SID: 162240899; 24865647
• PubChem CID: 17151

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7263142
• LogD (pH = 7.4): 1.7263142
• Log P: 1.7263142
• Molar Refractivity: 44.6723 cm^3
• Polarizability: 17.8112 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 178°C; 52 °C/0.4 mmHg(lit.)
• Flash Point: 195.8 °F; 90°C(194°F); 91 °C
• Density: 1.040; 1.044 g/mL at 25 °C(lit.)
• Refractive Index: 1.4580; n20/D 1.458(lit.)

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-28
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P305+P351+P338-P302+P352
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 97%; 97%, stab.
• Contains: 75 ppm HQ as inhibitor; 900 ppm MEHQ as inhibitor
• Empirical Formula (Hill Notation): C9H14O3

DETAILS

Sigma Aldrich - 409456

Packaging
250 mL in poly bottle