oxolan-2-ylmethyl prop-2-enoate

• ChemBase ID: 146941
• Molecular Formular: C8H12O3
• Molecular Mass: 156.17908
• Monoisotopic Mass: 156.07864424
• SMILES: C=CC(=O)OCC1CCCO1
• Canonical SMILES: C=CC(=O)OCC1CCCO1
• InChI: InChI=1S/C8H12O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2,7H,1,3-6H2
• InChIKey: YNXCGLKMOXLBOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-2-ylmethyl prop-2-enoate
• IUPAC Traditional name: oxolan-2-ylmethyl prop-2-enoate
• Synonyms: THFA; Tetrahydrofurfuryl acrylate; Acrylic acid tetrahydrofurfuryl ester; 丙烯酸四氢糠基酯; 丙烯酸四氢糠酯

Database IDs

• CAS Number: 2399-48-6
• EC Number: 219-268-7
• MDL Number: MFCD00014516
• Beilstein Number: 113115
• PubChem SID: 162241133; 24865555
• PubChem CID: 94232

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3307637
• LogD (pH = 7.4): 1.3307637
• Log P: 1.3307637
• Molar Refractivity: 40.3152 cm^3
• Polarizability: 15.97853 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 87 °C/9 mmHg(lit.); 88-89°C/9mm
• Flash Point: 113 °C; 235.4 °F; 93°C(199°F)
• Density: 1.030; 1.064 g/mL at 25 °C(lit.)
• Refractive Index: 1.4550; n20/D 1.46(lit.)

Safety Information

• RTECS: UD3670893
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN3334
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; 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: tech. 90%, stab. with 500ppm hydroquinone
• Contains: 500 ppm hydroquinone as inhibitor; 500 ppm monomethyl ether hydroquinone as inhibitor
• Empirical Formula (Hill Notation): C8H12O3

DETAILS

Sigma Aldrich - 408271

Packaging
100 mL in poly bottle