2-methylprop-2-enoic acid

• ChemBase ID: 89826
• Molecular Formular: C4H6O2
• Molecular Mass: 86.08924
• Monoisotopic Mass: 86.03677943
• SMILES: O=C(O)C(=C)C
• Canonical SMILES: CC(=C)C(=O)O
• InChI: InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
• InChIKey: CERQOIWHTDAKMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylprop-2-enoic acid
• IUPAC Traditional name: methacrylic acid
• Synonyms: 2-Methylacrylic acid; methacrylic acid; 2-Methylprop-2-enoic acid; Methacrylic acid 99+%; MAA; 2-methyl-2-propenoic acid; 2-Methacrylic acid; 2-Methylpropenoic acid; Methacrylic acid; 2-甲基丙烯酸; 异丁烯酸; 甲基丙烯酸

Database IDs

• CAS Number: 79-41-4
• EC Number: 201-204-4
• MDL Number: MFCD00002651
• Beilstein Number: 1719937
• Merck Index: 145941
• PubChem SID: 24883097; 24849561; 24864158; 162076681
• PubChem CID: 4093
• Wikipedia Title: Methacrylic_acid

CALCULATED PROPERTIES

• Acid pKa: 4.850526
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19176336
• LogD (pH = 7.4): -1.5789503
• Log P: 0.9284978
• Molar Refractivity: 21.6485 cm^3
• Polarizability: 8.399095 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: 12-16 °C(lit.); 12-16°C; 14 - 15 °C; 16°C
• Boiling Point: 161 °C; 163 °C(lit.); 163°C; 163°C
• Flash Point: 170.6 °F; 65°C(149°F); 77 °C; 77°C
• Auto Ignition Point: 752 °F
• Density: 1.015; 1.015 g/cm^3; 1.015 g/mL at 20 °C; 1.015 g/mL at 25 °C(lit.)
• Refractive Index: 1.4310; n20/D 1.431; n20/D 1.431(lit.)
• Vapor Pressure: 1 mmHg ( 20 °C)
• Vapor Density: >3 (vs air)

Safety Information

• Storage Warning: Corrosive/Harmful/Light Sensitive/Keep Cold/Store under Argon; Moisture Sensitive
• RTECS: OZ2975000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2531; UN2531
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 21/22-35
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  2

  3

  2
• GHS Hazard statements: H302 + H312-H314-H335; H302-H312-H314; H314-H302-H312-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2531 8/PG 2

Product Information

• Purity: ≥98.0%; ≥98.0% (T); 99%; 99%, stab. with 100-250ppm hydroquinone or 4-methoxyphenol; 99+%, stab. with 250ppm 4-methoxyphenol
• Grade: purum; SAJ first grade
• Contains: ~0.025% hydroquinone monomethyl ether as stabilizer; 100-250 ppm hydroquinone as inhibitor; 250 ppm MEHQ as inhibitor
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: H2C=C(CH3)COOH
• Classification: Genuine Natural Compounds

DETAILS

Apollo Scientific Ltd - OR54367

Stabilised with 250ppm MEHQ

InterBioScreen - BB_NC-2230

Isomers

Sigma Aldrich - 155721

Packaging
18 kg in VerSA-Flow™
5, 100, 500 g in glass bottle
2, 3 kg in glass bottle

Sigma Aldrich - 395374

Packaging
100 mL in glass bottle
2 L in glass bottle

Sigma Aldrich - 64050

Caution
may polymerize