2-hydroxypropyl 2-methylprop-2-enoate

• ChemBase ID: 107422
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: CC(O)COC(=O)C(=C)C
• Canonical SMILES: CC(COC(=O)C(=C)C)O
• InChI: InChI=1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3
• InChIKey: VHSHLMUCYSAUQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypropyl 2-methylprop-2-enoate
• IUPAC Traditional name: HPMA; β-hydroxypropyl methacrylate
• Synonyms: 2-HYDROXY PROPYL METHACRYLATE; Methacrylic acid hydroxypropyl ester; Hydroxypropyl methacrylate, mixture of isomers; 2-Hydroxypropyl Methacrylate; 甲基丙烯酰酸羟基丙酯, 异构体混合物

Database IDs

• CAS Number: 27813-02-1
• EC Number: 248-666-3
• MDL Number: MFCD00004536
• PubChem SID: 162093385
• PubChem CID: 13539

CALCULATED PROPERTIES

• Acid pKa: 14.828349
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0341982
• LogD (pH = 7.4): 1.0341982
• Log P: 1.0341982
• Molar Refractivity: 37.1287 cm^3
• Polarizability: 14.792628 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70°C/1mm
• Boiling Point: 205-209°C
• Flash Point: 97°C(207°F)
• Density: 1.029
• Refractive Index: 1.4480

Safety Information

• RTECS: UD3442500
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36-43
• Safety Statements: 24/25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H319-H317
• GHS Precautionary statements: P261-P280-P305+P351+P338-P302+P352-P321-P501A

Product Information

• Purity: 98%; 98%, stab. with ca 0.02% 4-methoxyphenol

DETAILS

MP Biomedicals - 05203664

MP Biomedicals Rare Chemical collection