2-(2-{2-[(2-methylprop-2-enoyl)oxy]ethoxy}ethoxy)ethyl 2-methylprop-2-enoate

• ChemBase ID: 111416
• Molecular Formular: C14H22O6
• Molecular Mass: 286.32088
• Monoisotopic Mass: 286.14163842
• SMILES: CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C
• InChI: InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3
• InChIKey: HWSSEYVMGDIFMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{2-[(2-methylprop-2-enoyl)oxy]ethoxy}ethoxy)ethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-(2-{2-[(2-methylprop-2-enoyl)oxy]ethoxy}ethoxy)ethyl 2-methylprop-2-enoate
• Synonyms: TRIETHYLENEGLYCOL DIMETHACRYLATE; Triethylene glycol dimethacrylate; 2-Methyl-2-propenoic Acid 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] Ester; Methacrylic Acid Ethylenebis(oxyethylene) Ester; 1,2-Bis[2-(methacryloyloxy)ethoxy]ethane; ATM 2; Acryester 3ED; Bisomer TEGDMA; Blemmer PDE 150; EM 328; Esschem 943X7469; Ethylenebis(oxyethylene) methacrylate; NSC 84260; Neomer PM 201; SR 205; Sartomer SR 205; TEDMA; TEGDMA; TGM 3; TGM 3S; Triethylene Glycol Dimethacrylate (Stabilized with MEHQ); 三乙二醇二甲基丙烯酸酯

Database IDs

• CAS Number: 109-16-0
• EC Number: 203-652-6
• MDL Number: MFCD00008591
• Beilstein Number: 1797351
• PubChem SID: 24855819; 162096853; 24889364
• PubChem CID: 7979

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3499744
• LogD (pH = 7.4): 2.3499744
• Log P: 2.3499744
• Molar Refractivity: 72.9532 cm^3
• Polarizability: 29.010296 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -7°C
• Boiling Point: 170-172 °C/5 mmHg(lit.); 285°C
• Flash Point: 167 °C; 332.6 °F
• Density: 1.092 g/mL at 25 °C(lit.); 1.125 g/ml
• Refractive Index: n20/D 1.461; n20/D 1.461(lit.)

Safety Information

• RTECS: OZ4100000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38-43
• Safety Statements: 26-28-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; 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: ≥95.0% (GC); 95%
• Grade: purum
• Contains: ~0.01% hydroquinone monomethyl ether as stabilizer; ~80 ppm hydroquinone as inhibitor; 80-120 ppm MEHQ as inhibitor
• Linear Formula: CH2=C(CH3)COO(CH2CH2O)3COC(CH3)=CH2

DETAILS

MP Biomedicals - 05219093

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 261548

General description
Inhibited
Packaging
1 L in glass bottle
250 mL in glass bottle

Toronto Research Chemicals - T776470

Esters of acrylic acid and methacrylic acid, more commonly known as acrylates and methacrylates are key raw materials in the coatings and printing industry, and in food packaging.

REFERENCES

• Moore, M., et al.: Mutagenesis, 6, 77 (1991)
• McCarthy, K., et al.: Food Chem. Toxicol., 30, 505 (1991)