p-Hydroxybenzaldehyde

• Catalog Number: ACM123080
• Product Name: p-Hydroxybenzaldehyde
• CAS: 123-08-0
• Category: Heterocyclic Organic Compound
• Description: Solid;Solid;Beige powder; vanillic/nutty odour
• Synonyms: 4-Formylphenol
• IUPAC Name: 4-Hydroxybenzaldehyde
• Molecular Weight: 122.12
• Molecular Formula: C7H6O2
• Canonical SMILES: C1=CC(=CC=C1C=O)O
• InChI: InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
• InChI Key: RGHHSNMVTDWUBI-UHFFFAOYSA-N
• Boiling Point: 310.0 °C
• Melting Point: 112-116 °C(lit.)
• Flash Point: 174 °C
• Density: 1,129 g/cm³
• Solubility: 0.11 M;8.45 mg/mL at 25 °C;8.45 mg/mL at 25 °C;slightly soluble in water; soluble in organic solvents;freely soluble (in ethanol)
• Appearance: Crystalline powder
• Storage: Store below +30 °C
• Complexity: 93.1
• Covalently-Bonded Unit Count: 1
• EC Number: 204-599-1
• Exact Mass: 122.036779430
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 9
• LogP: 1.35 (LogP);1.35;1.35
• Monoisotopic Mass: 122.036779430
• NSC Number: 2127
• pKa: 7.61(at 25 °C)
• Refractive Index: 1.5105
• Rotatable Bond Count: 1
• Safety Description: 26-36-24/25-37/39-S24/25
• Supplemental Hazard Statements: H303-H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 37.3 Ų
• UNII: O1738X3Y38
• Vapor Pressure: 1.13e-04 mmHg
• XLogP3: 1.4