p-Hydroxybenzaldehyde

• CAS: 123-08-0
• Catalog Number: ACM123080
• Category: Other Products
• Molecular Weight: 122.12
• Molecular Formula: C7H6O2
• Description: Solid;Solid;Beige powder; vanillic/nutty odour
• Synonyms: 4-Formylphenol
• IUPAC Name: 4-Hydroxybenzaldehyde
• 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
• Application: p-Hydroxybenzaldehyde serves as a vital intermediate in the pharmaceutical and spice industries, contributing significantly to the synthesis of a variety of compounds. It is utilized in producing several pharmaceuticals, such as amoxicillin and esmolol hydrochloride, and also in creating antibacterial agents. Additionally, p-Hydroxybenzaldehyde plays an essential role in spice production, being a precursor for vanillin, ethyl vanillin, and other aromatic compounds. In the broader industrial context, it is used in the synthesis of herbicides like bromoxynil and chloroxynil, and in applications such as bactericidal agents, emulsifiers in photography, and components in liquid crystal displays. The compound's versatility is further highlighted by its involvement in producing phenol derivatives through various reactions. Known for its sweet, woody aroma, p-Hydroxybenzaldehyde is a critical component in diverse applications, underpinning its widespread utility across multiple sectors.
• 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