2-ethylhexyl 2-methylprop-2-enoate

• ChemBase ID: 151158
• Molecular Formular: C12H22O2
• Molecular Mass: 198.30188
• Monoisotopic Mass: 198.16197994
• SMILES: CCCCC(CC)COC(=O)C(=C)C
• Canonical SMILES: CCCCC(COC(=O)C(=C)C)CC
• InChI: InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3
• InChIKey: WDQMWEYDKDCEHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylhexyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-ethylhexyl 2-methylprop-2-enoate
• Synonyms: 2-Ethylhexyl methacrylate; Methacrylic acid 2-ethylhexyl ester; 甲基丙烯酸-2- 乙基己酯; 2-乙基己基 甲基丙烯酸盐

Database IDs

• CAS Number: 688-84-6
• EC Number: 211-708-6
• MDL Number: MFCD00009494
• Beilstein Number: 1769420
• PubChem SID: 24857488; 24882662; 162245316
• PubChem CID: 12713

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.330303
• LogD (pH = 7.4): 4.330303
• Log P: 4.330303
• Molar Refractivity: 58.5658 cm^3
• Polarizability: 23.35703 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -50°C
• Boiling Point: 120 °C/18 mmHg(lit.); 218°C
• Flash Point: 197.6 °F; 92 °C; 92°C(198°F)
• Density: 0.883 g/mL at 20 °C; 0.885; 0.885 g/mL at 25 °C(lit.)
• Refractive Index: 1.4380; n20/D 1.438; n20/D 1.438(lit.)
• Vapor Density: 6.9 (vs air)

Safety Information

• RTECS: OZ4630000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-27-60; 26-28
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 98%; 98%, stab. with 4-methoxyphenol
• Grade: purum
• Contains: ~0.005% hydroquinone monomethyl ether as stabilizer; ~50 ppm monomethyl ether hydroquinone as stabilizer
• Linear Formula: CH2=C(CH3)COOCH2CH(C2H5)(CH2)3CH3

DETAILS

Sigma Aldrich - 290807

Packaging
1 L in poly bottle
25 mL in poly bottle