2-ethoxy-4-formylphenyl acetate

• ChemBase ID: 26149
• Molecular Formular: C11H12O4
• Molecular Mass: 208.21058
• Monoisotopic Mass: 208.07355886
• SMILES: c1(OC(=O)C)c(cc(C=O)cc1)OCC
• Canonical SMILES: CCOc1cc(C=O)ccc1OC(=O)C
• InChI: InChI=1S/C11H12O4/c1-3-14-11-6-9(7-12)4-5-10(11)15-8(2)13/h4-7H,3H2,1-2H3
• InChIKey: XRZFVPCFHPIMAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-4-formylphenyl acetate
• IUPAC Traditional name: 2-ethoxy-4-formylphenyl acetate
• Synonyms: 2-Ethoxy-4-formylphenyl acetate; 4-Acetoxy-3-ethoxybenzaldehyde; 2-Ethoxy-4-formylphenyl acetate; 3-乙氧基-4-乙酰氧基苯甲醛

Database IDs

• CAS Number: 72207-94-4
• MDL Number: MFCD01666413
• PubChem SID: 160989456
• PubChem CID: 155708

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4921458
• LogD (pH = 7.4): 1.4921458
• Log P: 1.4921458
• Molar Refractivity: 54.9862 cm^3
• Polarizability: 21.0386 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• RTECS: CU4381000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%