2-ethoxybenzaldehyde

• ChemBase ID: 110265
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: CCOc1ccccc1C=O
• Canonical SMILES: CCOc1ccccc1C=O
• InChI: InChI=1S/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3
• InChIKey: DUVJMSPTZMCSTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxybenzaldehyde
• IUPAC Traditional name: benzaldehyde, 2-ethoxy-
• Synonyms: 2-Ethoxy benzaldehyde; o-ETHOXYBENZALDEHYDE; 2-Ethoxybenzaldehyde; 2-Ethoxybenzaldehyde; 2-乙氧基苯甲醛

Database IDs

• CAS Number: 613-69-4
• EC Number: 210-349-2
• MDL Number: MFCD00003316
• Beilstein Number: 1937270
• PubChem SID: 24849367; 162095594
• PubChem CID: 11950

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8848848
• LogD (pH = 7.4): 1.8848848
• Log P: 1.8848848
• Molar Refractivity: 43.8538 cm^3
• Polarizability: 16.580048 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 136-138 °C/24 mmHg(lit.); 249°C
• Flash Point: 197.6 °F; 91°C(195°F); 92 °C
• Density: 1.074 g/mL at 25 °C(lit.); 1.077
• Refractive Index: 1.5430; n20/D 1.543(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97%; 97%; 97+%
• Linear Formula: C2H5OC6H4CHO

DETAILS

MP Biomedicals - 05214314

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 153729

Packaging
25 g in glass bottle