2-(3-methoxyphenoxy)benzaldehyde

• ChemBase ID: 140186
• Molecular Formular: C14H12O3
• Molecular Mass: 228.24328
• Monoisotopic Mass: 228.07864424
• SMILES: COc1cccc(c1)Oc1ccccc1C=O
• Canonical SMILES: COc1cccc(c1)Oc1ccccc1C=O
• InChI: InChI=1S/C14H12O3/c1-16-12-6-4-7-13(9-12)17-14-8-3-2-5-11(14)10-15/h2-10H,1H3
• InChIKey: AOGRYADLPWDYSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenoxy)benzaldehyde
• IUPAC Traditional name: 2-(3-methoxyphenoxy)benzaldehyde
• Synonyms: 2-(3-Methoxyphenoxy)benzaldehyde; 2-(3-甲氧基苯氧基)苯甲醛

Database IDs

• CAS Number: 122283-23-2
• MDL Number: MFCD09038415
• PubChem SID: 162234430; 24884682
• PubChem CID: 14620152

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0283642
• LogD (pH = 7.4): 3.0283642
• Log P: 3.0283642
• Molar Refractivity: 65.346 cm^3
• Polarizability: 25.066603 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4

PROPERTIES

Physical Property

• Melting Point: 34-38 °C
• Flash Point: >110 °C; >230 °F

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 41-50
• Safety Statements: 26-39-60-61
• GHS Pictograms: GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H318-H400
• GHS Precautionary statements: P273-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 97%
• Linear Formula: H3COC6H4OC6H4CHO

DETAILS

Sigma Aldrich - 664162

Packaging
1 g in glass bottle