tridecyl 2-methylprop-2-enoate

• ChemBase ID: 137224
• Molecular Formular: C17H32O2
• Molecular Mass: 268.43478
• Monoisotopic Mass: 268.24023026
• SMILES: CCCCCCCCCCCCCOC(=O)C(=C)C
• Canonical SMILES: CCCCCCCCCCCCCOC(=O)C(=C)C
• InChI: InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3/h2,4-15H2,1,3H3
• InChIKey: KEROTHRUZYBWCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecyl 2-methylprop-2-enoate
• IUPAC Traditional name: tridecyl 2-methylprop-2-enoate
• Synonyms: Tridecyl methacrylate; 甲基丙烯酸十三烷酯

Database IDs

• CAS Number: 2495-25-2
• EC Number: 219-671-8
• MDL Number: MFCD00059220
• PubChem SID: 24865561; 162231489
• PubChem CID: 17234

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.6327424
• LogD (pH = 7.4): 6.6327424
• Log P: 6.6327424
• Molar Refractivity: 81.7002 cm^3
• Polarizability: 32.580856 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 0.88 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.45(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-43
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335
• GHS Precautionary statements: P261-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

Product Information

• Contains: 600 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=C(CH3)CO2R, R = C12-C14