2-methylprop-2-enoyl 2-methylprop-2-enoate

• ChemBase ID: 128295
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: O=C(OC(=O)C(=C)C)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OC(=O)C(=C)C
• InChI: InChI=1S/C8H10O3/c1-5(2)7(9)11-8(10)6(3)4/h1,3H2,2,4H3
• InChIKey: DCUFMVPCXCSVNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylprop-2-enoyl 2-methylprop-2-enoate
• IUPAC Traditional name: methacrylic anhydride
• Synonyms: Methacrylic anhydride; Methacrylic anhydride; 2-Methylacrylic acid anhydride; 2-methylacrylic anhydride; 甲基丙烯酸酐

Database IDs

• CAS Number: 760-93-0
• EC Number: 212-084-8
• MDL Number: MFCD00008586
• Beilstein Number: 1761982
• PubChem SID: 162222603; 24856712; 24883101
• PubChem CID: 12974
• Chemspider ID: 12434
• Wikipedia Title: Methacrylic_anhydride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4578342
• LogD (pH = 7.4): 2.4578342
• Log P: 2.4578342
• Molar Refractivity: 40.0916 cm^3
• Polarizability: 15.836504 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -109°C; 172 - 176°C
• Boiling Point: 197°C; 87 °C/13 mmHg(lit.)
• Flash Point: 183.2 °F; 84 °C; 84°C(183°F)
• Density: 1.033; 1.035 g/mL at 25 °C(lit.); 1.04 g/mL at 20 °C
• Refractive Index: 1.4540; n20/D 1.453; n20/D 1.453(lit.)
• Hydrophobicity(logP): 1.545

Safety Information

• Storage Warning: Moisture & Light Sensitive
• RTECS: OZ5700000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 3265; UN3265
• German water hazard class: 1; 2
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 20-34; 20-37/38-41
• Safety Statements: 26-39; 9-23-26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318-H332-H227; H315-H318-H331-H335
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥92% (T); 94%; 94%, stab. with ca 0.2% 2,4-dimethyl-6-tert-butylphenol; 95%; 95+%
• Grade: technical
• Contains: ~0.2% topanol A as stabilizer; 2,000 ppm topanol A as inhibitor
• Linear Formula: [H2C=C(CH3)CO]2O

DETAILS

Sigma Aldrich - 276685

Packaging
100, 500 mL in glass bottle