2-phenoxyethyl prop-2-enoate

• ChemBase ID: 146648
• Molecular Formular: C11H12O3
• Molecular Mass: 192.21118
• Monoisotopic Mass: 192.07864424
• SMILES: C=CC(=O)OCCOc1ccccc1
• Canonical SMILES: C=CC(=O)OCCOc1ccccc1
• InChI: InChI=1S/C11H12O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h2-7H,1,8-9H2
• InChIKey: RZVINYQDSSQUKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxyethyl prop-2-enoate
• IUPAC Traditional name: 2-phenoxyethyl prop-2-enoate
• Synonyms: Acrylic acid 2-phenoxyethyl ester; Ethylene glycol phenyl ether acrylate; 2-Phenoxyethyl acrylate; 2-Phenoxyethyl acrylate; Ethylene glycol phenyl ether acrylate; 2-苯氧基乙基丙烯酸酯; 丙烯酸2-苯氧基乙酯; 乙二醇苯基醚丙烯酸酯

Database IDs

• CAS Number: 48145-04-6
• EC Number: 256-360-6
• MDL Number: MFCD00053696
• Beilstein Number: 2102773
• PubChem SID: 24865560; 162240841
• PubChem CID: 39485

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5562243
• LogD (pH = 7.4): 2.5562243
• Log P: 2.5562243
• Molar Refractivity: 52.6127 cm^3
• Polarizability: 20.735132 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103-104°C/1mm; 84 °C/0.2 mmHg(lit.)
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.104; 1.104 g/mL at 25 °C(lit.)
• Refractive Index: 1.5190; n20/D 1.518(lit.)

Safety Information

• RTECS: KM0700000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/37/38-51/53
• Safety Statements: 26-28-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H411; H315-H319-H335-H411-H401
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: tech. 85%, stab. with 4-methoxyphenol
• Contains: 0-120 ppm hydroquinone monomethyl as inhibitor; 75-125 ppm hydroquinone as inhibitor
• Linear Formula: H2C=CHCO2CH2CH2OC6H5

DETAILS

Sigma Aldrich - 408336

Packaging
1 L in poly bottle
250 mL in poly bottle