methyl prop-2-enoate

• ChemBase ID: 123372
• Molecular Formular: C4H6O2
• Molecular Mass: 86.08924
• Monoisotopic Mass: 86.03677943
• SMILES: C(=O)(C=C)OC
• Canonical SMILES: COC(=O)C=C
• InChI: InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
• InChIKey: BAPJBEWLBFYGME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl prop-2-enoate
• IUPAC Traditional name: methyl acrylate
• Synonyms: methyl acrylate; Methyl acrylate; Methyl acrylate; Methyl propenoate; Methoxycarbonylethylene; Curithane 103; Acrylic acid methyl ester; Methyl propenoate; 丙烯酸甲酯

Database IDs

• CAS Number: 96-33-3
• EC Number: 202-500-6
• MDL Number: MFCD00008627
• Beilstein Number: 605396
• Merck Index: 146011
• PubChem SID: 24896758; 24845198; 162217725; 24887055
• PubChem CID: 7294
• CHEMBL: 9019
• Chemspider ID: 7022
• KEGG ID: C19443
• Wikipedia Title: Methyl_acrylate

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9121747
• LogD (pH = 7.4): 0.9121747
• Log P: 0.9121747
• Molar Refractivity: 22.0605 cm^3
• Polarizability: 8.640089 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 5 g/100 mL in water
• Apperance: Colorless liquid
• Melting Point: -74°C; -75 °C(lit.); -75°C
• Boiling Point: 79-81°C; 80 °C(lit.); 80°C
• Flash Point: 26.6 °F; -3 °C; -3°C (26.6°F); -3°C(26°F)
• Auto Ignition Point: 874 °F
• Density: 0.95 g/cm3; 0.955 g/mL at 20 °C; 0.956; 0.956 g/mL at 25 °C(lit.)
• Refractive Index: 1.4030; n20/D 1.402(lit.); n20/D 1.403
• Vapor Pressure: 67.5 mmHg ( 20 °C)
• Vapor Density: 3 (vs air)

Safety Information

• RTECS: AT2800000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1919; UN1919
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-36/37/38-43
• Safety Statements: 9-25-26-33-36/37-43
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• Main Hazard: Harmful (Xn); Highly flammable (F+)
• Explode Limits: 14.5 %
• GHS Hazard statements: H225-H301-H311-H332-H315-H319-H317-H335; H225-H301-H312 + H332-H315-H317-H319-H335; H225-H301-H312-H315-H317-H319-H332-H335
• GHS Precautionary statements: P210-P261-P280-P301 + P310-P305 + P351 + P338; P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1919 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0%; ≥99.0% (GC); ≥99.5% (GC); 99%; 99%, stab. with ca 15ppm 4-methoxyphenol
• Grade: analytical standard; purum; SAJ first grade
• Contains: ~0.0015% hydroquinone monomethyl ether as stabilizer; ≤100 ppm monomethyl ether hydroquinone as inhibitor
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH2=CHCOOCH3

DETAILS

Sigma Aldrich - M27301

Packaging
1, 2 L in glass bottle
18 L in steel drum
5, 250 mL in glass bottle