4-[(2-methylprop-2-enoyl)oxy]butyl 2-methylprop-2-enoate

• ChemBase ID: 147448
• Molecular Formular: C12H18O4
• Molecular Mass: 226.26892
• Monoisotopic Mass: 226.12050906
• SMILES: CC(=C)C(=O)OCCCCOC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCCCCOC(=O)C(=C)C
• InChI: InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
• InChIKey: XOJWAAUYNWGQAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2082-81-7
• EC Number: 218-218-1
• MDL Number: MFCD00008594
• PubChem SID: 24854068; 162241636
• PubChem CID: 16387

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0212479
• LogD (pH = 7.4): 3.0212479
• Log P: 3.0212479
• Molar Refractivity: 60.3762 cm^3
• Polarizability: 23.894558 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 132-134 °C/4 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.023 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.456(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38-43
• Safety Statements: 26-36/37/39
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Contains: 100 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: [H2C=C(CH3)CO2CH2CH2-]2

DETAILS

Sigma Aldrich - 234958

Packaging
100, 500 g in glass bottle