cyclohexyl 2-methylprop-2-enoate

• ChemBase ID: 131606
• Molecular Formular: C10H16O2
• Molecular Mass: 168.23284
• Monoisotopic Mass: 168.11502975
• SMILES: CC(=C)C(=O)OC1CCCCC1
• Canonical SMILES: O=C(C(=C)C)OC1CCCCC1
• InChI: InChI=1S/C10H16O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
• InChIKey: OIWOHHBRDFKZNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl 2-methylprop-2-enoate
• IUPAC Traditional name: cyclohexyl 2-methylprop-2-enoate
• Synonyms: Cyclohexyl methacrylate; Methacrylic acid cyclohexyl ester; 甲基丙烯酸环己酯; 环己基甲基丙烯酸酯; 甲基丙烯酸环己酯

Database IDs

• CAS Number: 101-43-9
• EC Number: 205-769-8; 202-943-5
• MDL Number: MFCD00014292
• Beilstein Number: 2045235
• PubChem SID: 24865610; 162225884
• PubChem CID: 7561

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1069958
• LogD (pH = 7.4): 3.1069958
• Log P: 3.1069958
• Molar Refractivity: 47.4318 cm^3
• Polarizability: 18.940886 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 68-70 °C/4 mmHg(lit.); 72-73°C/5mm
• Flash Point: 181.4 °F; 82°C(179°F); 83 °C
• Density: 0.964 g/mL at 20 °C; 0.964 g/mL at 25 °C(lit.); 0.970
• Refractive Index: 1.4577; n20/D 1.458; n20/D 1.458(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-36-43; 36/37/38
• Safety Statements: 24/25-26-37/39-46; 26-28; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317-H319; H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338; 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; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97%; ≥97.0% (GC); 97%, stab. with ca 50ppm 4-methoxyphenol
• Grade: purum
• Contains: ~0.006% hydroquinone monomethyl ether as stabilizer; ~60 ppm monomethyl ether hydroquinone as inhibitor; 0.006% hydroquinone monomethyl ether as inhibitor
• Linear Formula: CH2=C(CH3)COOC6H11

DETAILS

Sigma Aldrich - 408964

Packaging
100, 250 mL in glass bottle