 Home > Encyclopedia > 4-Methylcatechol

4-Methylcatechol

4-Methylcatechol structure

CAS No:
452-86-8
Formula:
C7H8O2
Chemical Name:
4-Methylcatechol
Synonyms:
1,2-Benzenediol,4-methyl-;Pyrocatechol,4-methyl-;4-Methyl-1,2-benzenediol;Homocatechol;Homopyrocatechol;4-Methylcatechol;4-Methylpyrocatechol;p-Methylpyrocatechol;3,4-Dihydroxytoluene;Toluene-3,4-diol;4-Methyl-1,2-dihydroxybenzene;1,2-Dihydroxy-4-methylbenzene;2-Hydroxy-4-methylphenol;5-Methylcatechol;1-Methyl-3,4-dihydroxybenzene;NSC 17489;p-Methylcatechol;4-Methylbenzcatechin;4-Methyl-1,2-benzediol
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.

Solid

4-methylcatechol is a methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies. It has a role as a hapten, a carcinogenic agent, an antioxidant, a human metabolite and a plant metabolite.

4-Methylcatechol Basic Attributes

Molecular Weight：

124.13700

Exact Mass：

124.14

EC Number：

207-214-5

UNII：

12GLI7JGB3

NSC Number：

17489

DSSTox ID：

DTXSID5020861

HScode：

2907299090

Characteristics

PSA：

40.46000

XLogP3：

1.4

Appearance：

Solid

Density：

1.1287 g/cm³ @ Temp: 73.6000390625 °C

Melting Point：

65 °C

Boiling Point：

251 °C

Flash Point：

140ºC

Refractive Index：

1.594

Water Solubility：

H2O: soluble

Vapor Pressure：

0.016mmHg at 25°C

OH：

1.56e-10 cm3/molecule*sec

Collision Cross Section：

121 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|121.5 Å² [M-H]-

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

UX1915000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH：

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. (See all compounds classified as Carcinogens.)|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. (See all compounds classified as Neuroprotective Agents.)|Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

Metabolism/Metabolites：

4-methyl-hydroquinone is a known human metabolite of 4-Methylphenol.

MeSH Entry Terms：

3,4-dihydroxytoluene

4-Methylcatechol Use and Manufacturing

4-Methylcatechol is a chemical compound. It is a component of castoreum, the exudate from the castor sacs of the mature beaver.

Computed Properties

Molecular Weight:124.14
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:124.052429494
Monoisotopic Mass:124.052429494
Topological Polar Surface Area:40.5
Heavy Atom Count:9
Complexity:92.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Pyridine

Vanillin

Glycine

1-Methyl-4-nitrosobenzene

Ethanol

Acetic acid

Sulfuric acid

Hydrogen peroxide

Sulfurous acid

Downstream Products

N-Methylaniline

Carbon dioxide

Oxalic acid

Recommended Suppliers of 4-Methylcatechol

HANGZHOU TIANYE CHEMICALS CO., LTD Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of Di-n-butyl naphthalene-2,6-dicarboxylate

4-Methylcatechol.

CAS No.: 452-86-8

Content: 98%

Inquiry
LUYUNJIA CHEMISTRY XIAMEN LIMITED Contact Supplier

CN
5 YRS

Business licensed

Distributor Supplier of DIMETHYL SULFOXIDE,NMP,MMT

4-Methylcatechol(452-86-8)

Unit Price: $2100-2200 /MT FOB

CAS No.: 452-86-8

Content: 99%

Inquiry
Zibo city bingqing fine chemical plant Contact Supplier

CN
10 YRS

Business licensed Certified factory

Manufactory Supplier

4-Methylcatechol Industrial Grade

CAS No.: 452-86-8

Grade: Industrial Grade

Inquiry
Xiamen Caogenlan Industry Co., Ltd. Contact Supplier

CN
9 YRS

Business licensed Certified factory

Manufactory Supplier of Natural creosote,Natural vanillin

white Powder-like 4-Methylcatechol

CAS No.: 452-86-8

Grade: Industrial Grade

Inquiry
Beijing Entrepreneur Science & Trading Co., Ltd. Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of Flavor & Fragrance Ingredients,Plasticizer,API,Pharmaceutical Intermediates,Thermal Powder,Plant Extract,Silane & Silicone Oil,Conductive Powder,Chiral Catalysts & Ligands,Inorganic Powder,PVC Paste,Organic Intermediates

4-Methylcatechol CAS 452-86-8

CAS No.: 452-86-8

Grade: Chemical Grade

Content: 98%

Inquiry