2-(phenoxymethyl)oxirane

• ChemBase ID: 53633
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: O1C(C1)COc1ccccc1
• Canonical SMILES: O1CC1COc1ccccc1
• InChI: InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2
• InChIKey: FQYUMYWMJTYZTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(phenoxymethyl)oxirane
• IUPAC Traditional name: phenyl glydidyl ether
• Synonyms: 2-(Phenoxymethyl)oxirane; 2,3-Epoxypropyl phenyl ether; Glycidyl phenyl ether; Phenyl glycidyl ether; 1,2-Epoxy-3-phenoxypropane; Glycidyl phenyl ether; 1,2-Epoxy-3-phenoxypropane; Phenyl glycidyl ether; 2,3-环氧丙基苯醚; 缩水甘油基苯基醚; 苯基缩水甘油醚; 1,2-环氧-3-苯氧基丙烷; 缩水甘油基苯基醚; 1,2-环氧-3-苯氧基丙烷; 2,3-环氧丙基苯基醚; 缩水甘油苯基醚; 苯基缩水甘油醚

Database IDs

• CAS Number: 122-60-1
• EC Number: 204-557-2
• MDL Number: MFCD00005133
• Beilstein Number: 2744
• PubChem SID: 24887324; 24854931; 162058396; 24880937
• PubChem CID: 31217

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6568412
• LogD (pH = 7.4): 1.6568412
• Log P: 1.6568412
• Molar Refractivity: 41.2659 cm^3
• Polarizability: 16.490126 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 3.5 °C(lit.); 3.5°C
• Boiling Point: 244-246°C; 245 °C(lit.); 245-247 °C(lit.)
• Flash Point: 114 °C; 114°C(237°F); 237.2 °F
• Density: 1.107 g/mL at 20 °C(lit.); 1.109 g/mL at 25 °C(lit.); 1.110
• Refractive Index: 1.5310; n20/D 1.53(lit.); n20/D 1.530(lit.); n20/D 1.531
• Vapor Pressure: 0.03 mmHg ( 20 °C)
• Vapor Density: 5.2 (vs air)

Safety Information

• Storage Warning: IRRITANT
• RTECS: TZ3675000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-20-37/38-43-52/53-68; 45-20-37/38-43-68-52/53
• Safety Statements: 53-45-61
• TSCA Listed: false; 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H317-H335-H341-H350-H412; H350-H341-H332-H315-H317-H335-H412
• GHS Precautionary statements: P201-P261-P273-P280-P308 + P313; P261-P280-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥85% (GC); 99%
• Grade: technical; technical grade
• Empirical Formula (Hill Notation): C9H10O2

DETAILS

Sigma Aldrich - 248487

Packaging
50, 250 g in poly bottle

Sigma Aldrich - 578576

Packaging
100 g in poly bottle