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3-Methylcatechol

3-Methylcatechol structure

CAS No:
488-17-5
Formula:
C7H8O2
Chemical Name:
3-Methylcatechol
Synonyms:
1,2-Benzenediol,3-methyl-;Pyrocatechol,3-methyl-;3-Methyl-1,2-benzenediol;3-Methylcatechol;3-Methylpyrocatechol;3-Methyl-1,2-dihydroxybenzene;2,3-Dihydroxytoluene;1,2-Dihydroxy-3-methylbenzene;2,3-Toluenediol;2-Hydroxy-3-methylphenol;2-Hydroxy-6-methylphenol;NSC 66523
Categories:
Specialty Chemicals

Description

brown-grey crystalline powder

3-methylcatechol is a methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples. It has a role as a bacterial xenobiotic metabolite.|3-methyl-benzene-1,2-diol is a solid. This compound belongs to the catechols. These are compounds containing a 1,2-benzenediol moeity. 3-methyl-benzene-1,2-diol targets the protein biphenyl-2,3-diol 1,2-dioxygenase.

3-Methylcatechol Basic Attributes

Molecular Weight：

124.14

Exact Mass：

124.14

BRN：

774602

EC Number：

207-672-6

UNII：

0HUZ4Q9R8C

NSC Number：

66523

DSSTox ID：

DTXSID9060071

HScode：

2907299090

Characteristics

PSA：

40.5

XLogP3：

1.8

Appearance：

brown-grey crystalline powder

Density：

1.2±0.1 g/cm3

Melting Point：

68 °C

Boiling Point：

241 °C

Flash Point：

140 °C

Refractive Index：

1.595

Water Solubility：

H2O: soluble

OH：

2.05e-10 cm3/molecule*sec

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

RTECS Number：

UX1910000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH Entry Terms：

2,3-toluenediol

3-Methylcatechol Use and Manufacturing

Uses

A novel enzyme inhibitor agent

Manufacturing Info：

1,2-Benzenediol, 3-methyl-: ACTIVE

Computed Properties

Molecular Weight:124.14
XLogP3:1.8
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

Recommended Suppliers of 3-Methylcatechol

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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5 YRS

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3-Methylcatechol

CAS No.: 488-17-5

Content: 99.00%

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Hangzhou Zentra Bio-Chemical Co., Ltd. Contact Supplier

CN
1 YR

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3-Methylpyrocatechol 488-17-5 chemical materials

CAS No.: 488-17-5

Grade: Pharmaceutical Grade

Content: 99%

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