8-methylnonyl 2-methylprop-2-enoate

• ChemBase ID: 149885
• Molecular Formular: C14H26O2
• Molecular Mass: 226.35504
• Monoisotopic Mass: 226.19328007
• SMILES: CC(C)CCCCCCCOC(=O)C(=C)C
• Canonical SMILES: CC(CCCCCCCOC(=O)C(=C)C)C
• InChI: InChI=1S/C14H26O2/c1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4/h12H,3,5-11H2,1-2,4H3
• InChIKey: COCLLEMEIJQBAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methylnonyl 2-methylprop-2-enoate
• IUPAC Traditional name: isodecyl methacrylate
• Synonyms: Isodecyl methacrylate; 甲基丙烯酸异癸酯

Database IDs

• CAS Number: 29964-84-9
• EC Number: 249-978-2
• MDL Number: MFCD00053728
• PubChem SID: 24865608; 162244047
• PubChem CID: 34763

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1414866
• LogD (pH = 7.4): 5.1414866
• Log P: 5.1414866
• Molar Refractivity: 67.8448 cm^3
• Polarizability: 27.045694 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 126 °C/10 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.878 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.443(lit.)

Safety Information

• RTECS: OZ5000000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38-43
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: 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: 95%
• Contains: 150 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=C(CH3)CO2C10H21

DETAILS

Sigma Aldrich - 408948

Packaging
1 L in glass bottle
250 mL in glass bottle