2-methoxyethyl prop-2-enoate

• ChemBase ID: 107058
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: COCCOC(=O)C=C
• Canonical SMILES: COCCOC(=O)C=C
• InChI: InChI=1S/C6H10O3/c1-3-6(7)9-5-4-8-2/h3H,1,4-5H2,2H3
• InChIKey: HFCUBKYHMMPGBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl prop-2-enoate
• IUPAC Traditional name: thiazesim hydrochloride
• Synonyms: METHOXYETHYL ACRYLATE; 2-Methoxyethyl acrylate; Ethylene glycol methyl ether acrylate; Acrylic acid 2-methoxyethyl ester; Ethylene glycol methyl ether acrylate; 2-Methoxyethyl acrylate; 丙烯酸甲氧基乙酯; 乙二醇甲醚丙烯酸酯; 2-甲氧基乙基丙烯酸酯

Database IDs

• CAS Number: 3121-61-7
• EC Number: 221-499-3
• MDL Number: MFCD00048149
• Beilstein Number: 1754333
• PubChem SID: 24865607; 162093152
• PubChem CID: 18392

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.86519915
• LogD (pH = 7.4): 0.86519915
• Log P: 0.86519915
• Molar Refractivity: 33.104 cm^3
• Polarizability: 13.032595 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-30°C
• Boiling Point: 162°C; 56 °C/12 mmHg(lit.)
• Flash Point: 140 °F; 56°C(133°F); 60 °C
• Density: 1.008; 1.012 g/mL at 25 °C(lit.)
• Refractive Index: 1.4280; n20/D 1.427(lit.)

Safety Information

• RTECS: KL6000000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1992; UN2929
• German water hazard class: 1
• Hazard Class: 3; 6.1
• Packing Group: 3; II
• Risk Statements: 20/22-24-36/38-43-62-51/53-63; 20/22-24-41; R:22-27
• Safety Statements: 16-26-36/37/39-45; 24-26-36/37-45-61; S:28-29-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H311-H318-H332; H311-H331-H302-H315-H319-H317-H226-H361-H411-H401
• GHS Precautionary statements: P280H-P262-P273-P305+P351+P338-P309-P310; 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 1992 3/PG 3

Product Information

• Purity: 98%; 98%, stab. with ca 50-100ppm 4-methoxyphenol
• Contains: 50-100 ppm MEHQ as inhibitor
• Linear Formula: H2C=CHCO2CH2CH2OCH3

DETAILS

MP Biomedicals - 05202387

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 408913

Packaging
1 L in glass bottle
250 mL in glass bottle