2-(2-methylphenoxymethyl)oxirane

• ChemBase ID: 149528
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: Cc1ccccc1OCC1CO1
• Canonical SMILES: Cc1ccccc1OCC1CO1
• InChI: InChI=1S/C10H12O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9/h2-5,9H,6-7H2,1H3
• InChIKey: KFUSXMDYOPXKKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenoxymethyl)oxirane
• IUPAC Traditional name: cresyl glycidyl ether
• Synonyms: Glycidyl 2-methylphenyl ether; o-Cresyl glycidyl ether; 2-(2-Methylphenoxymethyl)oxirane; 2-甲苯缩水甘油醚; 邻甲苯缩水甘油醚

Database IDs

• CAS Number: 2210-79-9
• EC Number: 218-645-3
• MDL Number: MFCD00037847
• Beilstein Number: 4585
• PubChem SID: 24860778; 162243693
• PubChem CID: 16640

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1702626
• LogD (pH = 7.4): 2.1702626
• Log P: 2.1702626
• Molar Refractivity: 46.3071 cm^3
• Polarizability: 18.255482 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 109-111 °C/4 mmHg(lit.); 119-120°C/6mm
• Flash Point: 113 °C; 120°C(248°F); 235.4 °F
• Density: 1.079; 1.079 g/mL at 25 °C(lit.)
• Refractive Index: 1.5290; n20/D 1.529(lit.)
• Vapor Density: >1 (vs air)

Safety Information

• RTECS: TZ3700000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• UN Number: 3082; UN3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 38-43-51/53-68; 38-43-68-51/53
• Safety Statements: 36/37-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H341-H411; H331-H315-H317-H341-H303-H401-H411
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A; P273-P280
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: 90%; tech. 85%
• Grade: technical grade
• Empirical Formula (Hill Notation): C10H12O2

DETAILS

Sigma Aldrich - 340146

Packaging
100 mL in poly bottle