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P-Anisic Acid

Catalog Number
ACM100094
CAS Number
100-09-4
Product Name
P-Anisic Acid
Structure
Category
Liquid Crystal (LC) Building Blocks
Synonyms
Draconic acid
Description
Solid;Solid;white crystals with practically no odour
IUPAC Name
4-Methoxybenzoic acid
Molecular Weight
152.15
Molecular Formula
C8H8O3
Canonical SMILES
COC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key
ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Boiling Point
275 °C
Melting Point
182-185 °C
Flash Point
185 °C
Purity
95%+
Density
1.385 g/cm³ at 25 °C(lit.)
Solubility
Soluble in boiling water, organic solvents
Application
P-Anisic Acid, also known as 4-Methoxybenzoic acid, serves multiple purposes across various applications due to its unique properties. As a colorless needle crystal at room temperature, it finds use as an intermediate in the synthesis of aniracetam and other complex organic compounds. Its solubility in ethanol, ether, and chloroform, as well as its insolubility in cold water, makes it particularly versatile. In the cosmetics industry, P-Anisic Acid is valued for its preservative and fragrance properties, lending a sweet note to products. Its role extends to scientific applications, where it is employed in the oxidation and reduction of cytochrome c within research settings using cyclic voltammetry on gold electrodes. Additionally, P-Anisic Acid has antiseptic properties and functions as a plant metabolite, highlighting its relevance in both biological and chemical contexts.
Complexity
136
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
202-818-5;215-618-8
Exact Mass
152.047344113
Formal Charge
0
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Log P
1.96 (LogP);1.96;1.96
MeSH Entry Terms
4-methoxybenzoic acid
Monoisotopic Mass
152.047344113
NSC Number
32742;7926
Odor
Practically no odor
pH
3-4 (0.3g/l, H2O)
Refractive Index
n20/D 1.571-1.576(lit.)
Rotatable Bond Count
2
Storage Conditions
Below +30 °C
Topological Polar Surface Area
46.5 Ų
UNII
4SB6Y7DMM3
XLogP3
2
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