prop-2-en-1-yl 2-methylprop-2-enoate

• ChemBase ID: 107365
• Molecular Formular: C7H10O2
• Molecular Mass: 126.1531
• Monoisotopic Mass: 126.06807956
• SMILES: CC(=C)C(=O)OCC=C
• Canonical SMILES: C=CCOC(=O)C(=C)C
• InChI: InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3
• InChIKey: FBCQUCJYYPMKRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-en-1-yl 2-methylprop-2-enoate
• IUPAC Traditional name: allyl methacrylate
• Synonyms: ALLYL METHACRYLATE; Allyl methacrylate; Methacrylic acid allyl ester; 甲基丙烯酸烯丙酯

Database IDs

• CAS Number: 96-05-9
• EC Number: 202-473-0
• MDL Number: MFCD00008592
• Beilstein Number: 1747406
• PubChem SID: 162093690; 24854066; 24882664
• PubChem CID: 7274

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.038975
• LogD (pH = 7.4): 2.038975
• Log P: 2.038975
• Molar Refractivity: 35.5803 cm^3
• Polarizability: 13.9035225 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -65°C
• Boiling Point: 59-60°C/43mm; 59-61 °C/43 mmHg(lit.)
• Flash Point: 100.4 °F; 33°C(91°F); 38 °C
• Density: 0.933 g/mL at 20 °C; 0.938; 0.938 g/mL at 25 °C(lit.)
• Refractive Index: 1.4360; n20/D 1.436; n20/D 1.436(lit.)
• Vapor Pressure: 4.6 mmHg ( 20 °C)

Safety Information

• RTECS: UD3483000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 2929; UN2929
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 10-21/22-23-50; R:25-27
• Safety Statements: 36/37-45-61; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H312-H331-H400; H311-H330-H302-H226-H400
• GHS Precautionary statements: P210-P303+P361+P353-P304+P340-P320-P330-P361-P405-P501A; P261-P273-P280-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2929 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 97%, stab. with 100 ppm 4-methoxyphenol; 98%
• Grade: purum
• Contains: ~0.01% hydroquinone monomethyl ether as stabilizer; 50-185 ppm MEHQ as inhibitor
• Linear Formula: CH2=C(CH3)COOCH2CH=CH2

DETAILS

MP Biomedicals - 05203446

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 234931

Packaging
100, 500 mL in glass bottle