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p-Hydroxybenzaldehyde

Catalog Number
ACM123080
CAS Number
123-08-0
Product Name
p-Hydroxybenzaldehyde
Structure
Category
Liquid Crystal (LC) Building Blocks
Synonyms
4-Formylphenol
Description
Solid;Solid;Beige powder; vanillic/nutty odour
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
Purity
98%
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
Heavy Atom Count
9
Log P
1.35 (LogP);1.35;1.35
MeSH Entry Terms
4-hydroxybenzaldehyde;p-formylphenol;p-hydroxybenzaldehyde;para-hydroxybenzaldehyde
Monoisotopic Mass
122.036779430
NSC Number
2127
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
Topological Polar Surface Area
37.3 Ų
UNII
O1738X3Y38
Vapor Pressure
1.13e-04 mmHg
XLogP3
1.4
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