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4-Methylcatechol

Catalog Number
ACM452868-1
CAS Number
452-86-8
Product Name
4-Methylcatechol
Category
Ligands for Functional Metal Complexes
Synonyms
2-Hydroxy-4-methylphenol
Description
Solid
IUPAC Name
4-Methylbenzene-1,2-diol
Molecular Weight
124.14
Molecular Formula
C7H8O2
Canonical SMILES
CC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChI Key
ZBCATMYQYDCTIZ-UHFFFAOYSA-N
Boiling Point
251 °C(lit.)
Melting Point
67-69 °C(lit.)
Flash Point
140 °C
Purity
95%
Density
1.129 g/mL at 25 °C(lit.)
Solubility
Soluble in water
Appearance
Solid
Application
4-Methylcatechol, a versatile compound appearing as a white to brown powder or in chunk form, is primarily utilized for its synthesis capabilities in creating antimicrobial and antioxidant agents. Additionally, it acts as an effective inhibitor and is used in the production of 4-bromo-5-methyl-pyrocatechol. Notably, 4-Methylcatechol plays a crucial role in neurological research, as it has been shown to increase Brain-Derived Neurotrophic Factor (BDNF) content and mRNA expression both in cultured brain cells and in vivo in rat brains. This methylcatechol, specifically substituted with a single methyl group at the 4-position, is also naturally isolated from the Picea abies tree.
Storage
Keep in dark place, inert atmosphere, room temperature
Complexity
92.9
Covalently-Bonded Unit Count
1
EC Number
207-214-5
Exact Mass
124.052429494
Formal Charge
0
Heavy Atom Count
9
Log P
1.37 (LogP);1.37
MeSH Entry Terms
3,4-dihydroxytoluene;4-methylcatechol
Monoisotopic Mass
124.052429494
NSC Number
17489
Refractive Index
1.5425
Rotatable Bond Count
0
Storage Conditions
Dark place,inert atmosphere,Room temperature
Topological Polar Surface Area
40.5 Ų
UNII
12GLI7JGB3
XLogP3
1.4
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