methyl 2-methylprop-2-enoate

• ChemBase ID: 128338
• Molecular Formular: C5H8O2
• Molecular Mass: 100.11582
• Monoisotopic Mass: 100.0524295
• SMILES: O=C(OC)C(=C)C
• Canonical SMILES: COC(=O)C(=C)C
• InChI: InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
• InChIKey: VVQNEPGJFQJSBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-methylprop-2-enoate
• IUPAC Traditional name: methyl methacrylate
• Synonyms: Poly(methyl methacrylate); Poly(methyl methacrylate), 600 micron; MMA; 2-(methoxycarbonyl)-1-propene; Methyl methacrylate; Methyl methacrylate; Methacrylic acid methyl ester; 2-Methylacrylic acid methyl ester; 聚(甲基丙烯酸甲酯); 聚(甲基丙烯酸甲酯), 600微米; 甲基丙烯酸甲酯

Database IDs

• CAS Number: 9011-14-7; 80-62-6
• EC Number: 201-297-1
• MDL Number: MFCD00134349; MFCD00008587
• Beilstein Number: 605459
• Merck Index: 145941
• PubChem SID: 24883162; 24901967; 24897022; 162222646
• PubChem CID: 6658
• CHEBI ID: 34840
• CHEMBL: 49996
• Chemspider ID: 6406
• FEMA ID: 4002
• KEGG ID: C14527
• Unique Ingredient Identifier: 196OC77688
• Wikipedia Title: Methyl_methacrylate
• Flavis Number: 9.647

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3077252
• LogD (pH = 7.4): 1.3077252
• Log P: 1.3077252
• Molar Refractivity: 26.4176 cm^3
• Polarizability: 10.472008 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.5 g/100 ml in water
• Apperance: Colorless liquid; Powder
• Melting Point: >150°C; -48 °C(lit.); -48°C; -48°C
• Boiling Point: 100 °C(lit.); 100-101°C; 101°C
• Flash Point: 10°C(50°F); 2°C (35.6°F); 48.2 °F; 9 °C
• Auto Ignition Point: 435°C (815°F); 815 °F
• Density: 0.936 g/mL at 25 °C(lit.); 0.939; 0.94 g/cm3; 0.943 g/mL at 20 °C
• Refractive Index: 1.4150; n20/D 1.414; n20/D 1.414(lit.)
• Vapor Pressure: 29 mmHg ( 20 °C)
• Vapor Density: 3.5 (vs air)
• Viscosity: 0.6 cP at 20 °C

Safety Information

• RTECS: OZ5075000; TR0400000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1247; UN1247
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-37/38-43
• Safety Statements: 24-37-46; R
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• Main Hazard: Flammable
• Explode Limits: 12.5 %
• GHS Hazard statements: H225-H315-H317-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P302+P352-P405-P501A; P210-P261-P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1247 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.5%; ≥99.0%; ≥99.0% (GC); 97%; 99%; 99%, stab.
• Grade: purum; SAJ first grade
• Contains: ~0.0040% hydroquinone as stabilizer; ≤30 ppm hydroquinone monomethyl ether as inhibitor; ≤30 ppm MEHQ as inhibitor
• Linear Formula: CH2=C(CH3)COOCH3

DETAILS

Sigma Aldrich - W400201

Packaging
1 kg in glass bottle
1 sample in glass bottle
5, 10 kg in steel drum

Sigma Aldrich - M55909

Packaging
1, 2 L in glass bottle
17 L in steel drum
25, 500 mL in glass bottle