butyl 2-methylprop-2-enoate

• ChemBase ID: 106902
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: CCCCOC(=O)C(=C)C
• Canonical SMILES: CCCCOC(=O)C(=C)C
• InChI: InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3
• InChIKey: SOGAXMICEFXMKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl 2-methylprop-2-enoate
• IUPAC Traditional name: butyl 2-methylprop-2-enoate
• Synonyms: n-BUTYL METHACRYLATE (POLYMER), 40% IN PET. ETHER; n-BUTYL METHACRYLATE (MONOMER); butyl methacrylate; Methacrylic acid n-butyl ester; n-Butyl methacrylate; Butyl methacrylate; 正丁基甲基丙烯酸酯; 甲基丙烯酸丁酯

Database IDs

• CAS Number: 97-88-1
• EC Number: 202-615-1
• MDL Number: MFCD00009444
• Beilstein Number: 773960
• PubChem SID: 24854121; 162087337; 24883107
• PubChem CID: 7354

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6316242
• LogD (pH = 7.4): 2.6316242
• Log P: 2.6316242
• Molar Refractivity: 40.2912 cm^3
• Polarizability: 15.986376 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -75°C
• Boiling Point: 160-163°C; 162-165 °C(lit.)
• Flash Point: 129.2 °F; 49°C(120°F); 54 °C
• Auto Ignition Point: 562 °F
• Density: 0.894; 0.894 g/mL at 25 °C(lit.); 0.895 g/mL at 20 °C
• Refractive Index: 1.4240; n20/D 1.423(lit.); n20/D 1.424
• Vapor Pressure: 2 mmHg ( 20 °C)
• Vapor Density: 4.91 (15 °C, vs air)

Safety Information

• RTECS: OZ3675000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 2227; UN2227
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38-43
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Warning
• Explode Limits: 2-8 %
• GHS Hazard statements: H226-H315-H317-H319-H335; H331-H315-H319-H317-H335-H226
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338-P302+P352-P312
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2227 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (GC); 97%; 98%; 99%; 99%, stab. with 15-20 ppm 4-methoxyphenol
• Grade: purum
• Contains: ~0.005% hydroquinone monomethyl ether as stabilizer; 10 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: CH2=C(CH3)COO(CH2)3CH3

DETAILS

MP Biomedicals - 05211222

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05201819

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 235865

Packaging
1 L in glass bottle
18 L in steel drum
5, 100 mL in glass bottle