tert-butyl 2-methylprop-2-enoate

• ChemBase ID: 108027
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: CC(=C)C(=O)OC(C)(C)C
• Canonical SMILES: CC(=C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3
• InChIKey: SJMYWORNLPSJQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-methylprop-2-enoate
• IUPAC Traditional name: T-butyl methacrylate
• Synonyms: tert-Butyl methacrylate; tert-BUTYL METHACRYLATE; 甲基丙烯酸叔丁酯

Database IDs

• CAS Number: 585-07-9
• EC Number: 209-548-7
• MDL Number: MFCD00048245
• PubChem SID: 162093797; 24870053
• PubChem CID: 11448

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3616848
• LogD (pH = 7.4): 2.3616848
• Log P: 2.3616848
• Molar Refractivity: 40.2232 cm^3
• Polarizability: 15.986376 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 132 °C(lit.)
• Flash Point: 27 °C; 80.6 °F
• Density: 0.875 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.415(lit.)

Safety Information

• RTECS: OZ3675500
• UN Number: 3272
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Contains: 200 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=C(CH3)CO2C(CH3)3

DETAILS

MP Biomedicals - 05205793

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 463353

Packaging
100, 250 mL in glass bottle