4-甲基儿茶酚

Description

4-methylcatechol · CAS 452-86-8 · C7H8O2. UNII 12GLI7JGB3. Boiling Point: 251; Melting Point: 65; Melting Point: 65 °C.

Identification

CAS Registry Number	452-86-8
PubChem CID	9958
Molecular formula	C7H8O2
IUPAC name	4-methylbenzene-1,2-diol
UNII (FDA)	12GLI7JGB3

Computed Descriptors

Molecular Weight	124.14
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	124.052429494
Monoisotopic Mass	124.052429494
Topological Polar Surface Area	40.5
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	251
Melting Point	65
Melting Point	65 °C
Vapor Pressure	0.0028 [mmHg]
LogP	1.37
Ionization Efficiency	-0.28
Ionization Efficiency	2.7
Ionization Efficiency	MeCN (80%)
Ionization Efficiency	DOI:10.1038/s41598-020-62573-z
Collision Cross Section	121.5 Ų [M-H]-

Physical description & handling notes

• White or light brown solid; [Alfa Aesar MSDS]
• Solid
• Positive
• Agilent XCT
• Electrospray ionization
• formic acid (5.3nM)

GHS Hazard Classification

Reported hazard statements	H302 (11.9%), H312 (10.2%), H315 (100%), H319 (100%), H335 (98.3%)

Documented Uses

• 4-Methylcatechol (Class: Other Substances, Added Date: 07-2019)
• Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
• Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
• Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
• 4-methyl-hydroquinone is a known human metabolite of 4-Methylphenol.

Synonyms

4-Methylcatechol; 452-86-8; 4-methylbenzene-1,2-diol; 3,4-Dihydroxytoluene; Homocatechol; 4-Methyl-1,2-benzenediol; Homopyrocatechol; p-Methylcatechol; 1,2-Benzenediol, 4-methyl-; Toluene-3,4-diol; 1,2-Dihydroxy-4-methylbenzene; p-Methylpyrocatechol; 4-Methyl-1,2-dihydroxybenzene; Pyrocatechol, 4-methyl-; 2-Hydroxy-4-methylphenol; DTXSID5020861

Frequently Asked Questions

What are the CAS number and molecular formula of 4-methylcatechol?

CAS 452-86-8; molecular formula C7H8O2; molecular weight — g/mol.

What other names is 4-methylcatechol known by?

4-Methylcatechol, 452-86-8, 4-methylbenzene-1,2-diol, 3,4-Dihydroxytoluene, Homocatechol, 4-Methyl-1,2-benzenediol.

Is 4-methylcatechol classified as hazardous?

Hazard statements reported: H302, H312, H315, H319, H335.

What are the key physical properties of 4-methylcatechol?

Boiling Point: 251; Melting Point: 65; Melting Point: 65 °C; Vapor Pressure: 0.0028 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.