2-methylpropyl 2-methylprop-2-enoate

• ChemBase ID: 119379
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: C(=O)(C(=C)C)OCC(C)C
• Canonical SMILES: CC(COC(=O)C(=C)C)C
• InChI: InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3
• InChIKey: RUMACXVDVNRZJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-methylpropyl 2-methylprop-2-enoate
• Synonyms: isobutyl methacrylate; Isobutyl methacrylate; 甲基丙烯酸异丁酯

Database IDs

• CAS Number: 97-86-9
• EC Number: 202-613-0
• MDL Number: MFCD00008931
• Beilstein Number: 1747595
• PubChem SID: 162107967; 24850279; 24883154
• PubChem CID: 7352

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5520284
• LogD (pH = 7.4): 2.5520284
• Log P: 2.5520284
• Molar Refractivity: 40.1618 cm^3
• Polarizability: 15.986376 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 155 °C(lit.); 155°C
• Flash Point: 35 °C; 46°C(115°F); 95 °F
• Density: 0.886 g/mL at 20 °C; 0.886 g/mL at 25 °C(lit.); 0.889
• Refractive Index: n20/D 1.420; n20/D 1.420(lit.)
• Vapor Pressure: 3.5 mmHg ( 20 °C)
• Vapor Density: 3.82 (vs air)

Safety Information

• RTECS: OZ4900000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 2283; UN2283
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38-43-50
• Safety Statements: 24-37-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H317-H319-H335-H400; H226-H400-H315-H319-H317-H335; H315-H317-H319-H335-H400
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P273-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2283 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (GC); 97%; 99.5+%, stab. with 10ppm 4-methoxyphenol
• Grade: purum
• Contains: ~0.01% hydroquinone monomethyl ether as stabilizer; ≤15 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: CH2=C(CH3)COOCH2CH(CH3)2

DETAILS

Sigma Aldrich - 169919

Packaging
1 L in glass bottle
18 L in steel drum