octadecyl 2-methylprop-2-enoate

• ChemBase ID: 144523
• Molecular Formular: C22H42O2
• Molecular Mass: 338.56768
• Monoisotopic Mass: 338.31848058
• SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
• InChI: InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h2,4-20H2,1,3H3
• InChIKey: HMZGPNHSPWNGEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecyl 2-methylprop-2-enoate
• IUPAC Traditional name: octadecyl 2-methylprop-2-enoate
• Synonyms: N-Octadecyl methacrylate; Stearyl methacrylate; 甲基丙烯酸十八烷基酯; 甲基丙烯酸硬脂酸酯

Database IDs

• CAS Number: 32360-05-7
• EC Number: 251-013-5
• MDL Number: MFCD00026683
• PubChem SID: 24865746; 162238735
• PubChem CID: 122600

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.855585
• LogD (pH = 7.4): 8.855585
• Log P: 8.855585
• Molar Refractivity: 104.7052 cm^3
• Polarizability: 41.809475 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 18-20 °C(lit.)
• Boiling Point: 195 °C/6 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 0.864 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.451(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Grade: technical grade
• Impurities: cetyl methacrylate
• Contains: 90-150 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=C(CH3)CO2(CH2)17CH3

DETAILS

Sigma Aldrich - 411442

Packaging
1 L in poly bottle
250 mL in poly bottle