2,2-dimethyl-3-(prop-2-enoyloxy)propyl prop-2-enoate

• ChemBase ID: 110892
• Molecular Formular: C11H16O4
• Molecular Mass: 212.24234
• Monoisotopic Mass: 212.10485899
• SMILES: CC(C)(COC(=O)C=C)COC(=O)C=C
• Canonical SMILES: C=CC(=O)OCC(COC(=O)C=C)(C)C
• InChI: InChI=1S/C11H16O4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2/h5-6H,1-2,7-8H2,3-4H3
• InChIKey: MXFQRSUWYYSPOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-3-(prop-2-enoyloxy)propyl prop-2-enoate
• IUPAC Traditional name: neopentylglycol diacrylate
• Synonyms: Neopentyl glycol diacrylate; NEOPENTYL GLYCOL DIACRYLATE; 新戊二醇二丙烯酸酯

Database IDs

• CAS Number: 2223-82-7
• EC Number: 218-741-5
• MDL Number: MFCD00048148
• PubChem SID: 162103236; 24865516
• PubChem CID: 16680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6844592
• LogD (pH = 7.4): 2.6844592
• Log P: 2.6844592
• Molar Refractivity: 55.7767 cm^3
• Polarizability: 22.059841 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.031 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.453(lit.)

Safety Information

• RTECS: AS8925000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 24-36/38-43
• Safety Statements: 28-39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H311-H315-H317-H319
• GHS Precautionary statements: P280-P305 + P351 + P338-P312
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 2

Product Information

• Contains: 225 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: (H2C=CHCO2CH2)2C(CH3)2

DETAILS

MP Biomedicals - 05216865

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 408255

Packaging
100 mL in glass bottle