2-(4-methoxyphenoxymethyl)oxirane

• ChemBase ID: 120622
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: O1C(C1)COc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OCC1OC1
• InChI: InChI=1S/C10H12O3/c1-11-8-2-4-9(5-3-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3
• InChIKey: AVWGFHZLPMLKBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxymethyl)oxirane
• IUPAC Traditional name: 2-(4-methoxyphenoxymethyl)oxirane
• Synonyms: 2-((4-methoxyphenoxy)methyl)oxirane; 2,3-Epoxypropyl 4-methoxyphenyl ether; Glycidyl 4-methoxyphenyl ether; 4-(Glycidyloxy)anisole; 2,3-环氧丙基-4-甲氧基苯基醚; 4-甲氧基苯基缩水甘油醚; 2,3-环氧丙基-4-甲氧基苯基 醚

Database IDs

• CAS Number: 2211-94-1
• EC Number: 218-653-7
• MDL Number: MFCD00005135
• PubChem SID: 162214975; 24848878
• PubChem CID: 16646

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.49917
• LogD (pH = 7.4): 1.49917
• Log P: 1.49917
• Molar Refractivity: 47.7291 cm^3
• Polarizability: 19.015406 Å^3
• Polar Surface Area: 30.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-48 °C(lit.); 45-48°C
• Flash Point: >110°C(230°F); >113 °C; >235.4 °F

Safety Information

• RTECS: DA0176000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-68
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H341-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 99%
• Empirical Formula (Hill Notation): C10H12O3

DETAILS

Sigma Aldrich - 148067

Packaging
25, 100 g in glass bottle