hexyl 2-methylprop-2-enoate

• ChemBase ID: 112336
• Molecular Formular: C10H18O2
• Molecular Mass: 170.24872
• Monoisotopic Mass: 170.13067982
• SMILES: CCCCCCOC(=O)C(=C)C
• Canonical SMILES: CCCCCCOC(=O)C(=C)C
• InChI: InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3
• InChIKey: LNCPIMCVTKXXOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexyl 2-methylprop-2-enoate
• IUPAC Traditional name: hexyl 2-methylprop-2-enoate
• Synonyms: n-HEXYL METHACRYLATE; Methacrylic acid n-hexyl ester; n-Hexyl methacrylate; Hexyl methacrylate; 甲基丙烯酸正己酯

Database IDs

• CAS Number: 142-09-6
• EC Number: 205-521-9
• MDL Number: MFCD00015283
• Beilstein Number: 1754703
• PubChem SID: 162097317; 24869970
• PubChem CID: 8872

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5207615
• LogD (pH = 7.4): 3.5207615
• Log P: 3.5207615
• Molar Refractivity: 49.4932 cm^3
• Polarizability: 19.670214 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -57°C
• Boiling Point: 203 °C(lit.); 204°C
• Flash Point: 80°C(176°F)
• Density: 0.863 g/mL at 25 °C(lit.); 0.885
• Refractive Index: 1.4310; n20/D 1.432(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; 36/37/38-43
• Safety Statements: 26-28; 26-36/37
• 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, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%, stab. with 100ppm 4-methoxyphenol; 98%
• Contains: 100 ppm MEHQ
• Linear Formula: C6H13OCOCCH2CH3

DETAILS

MP Biomedicals - 05223539

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 462373

Packaging
1 kg in poly bottle
500 g in poly bottle