4-[(2-methylprop-2-enoyl)oxy]butan-2-yl 2-methylprop-2-enoate

• ChemBase ID: 149064
• Molecular Formular: C12H18O4
• Molecular Mass: 226.26892
• Monoisotopic Mass: 226.12050906
• SMILES: CC(CCOC(=O)C(=C)C)OC(=O)C(=C)C
• Canonical SMILES: CC(OC(=O)C(=C)C)CCOC(=O)C(=C)C
• InChI: InChI=1S/C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4/h10H,1,3,6-7H2,2,4-5H3
• InChIKey: VDYWHVQKENANGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-methylprop-2-enoyl)oxy]butan-2-yl 2-methylprop-2-enoate
• IUPAC Traditional name: 4-[(2-methylprop-2-enoyl)oxy]butan-2-yl 2-methylprop-2-enoate
• Synonyms: 1,3-Butanediol dimethacrylate; 1,3-丁二醇二甲基丙烯酸酯

Database IDs

• CAS Number: 1189-08-8
• EC Number: 214-711-0
• MDL Number: MFCD00014930
• PubChem SID: 162243232; 24865613
• PubChem CID: 70916

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9204602
• LogD (pH = 7.4): 2.9204602
• Log P: 2.9204602
• Molar Refractivity: 60.1504 cm^3
• Polarizability: 23.894558 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 290 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.01 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.452(lit.)

Safety Information

• German water hazard class: 1
• 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, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Contains: 150-250 ppm MEHQ as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CH2CH(CH3)O2CC(CH3)=CH2

DETAILS

Sigma Aldrich - 408999

Packaging
250 mL in poly bottle