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ChemicalBook--->CAS DataBase List--->452-86-8

452-86-8

452-86-8 Structure

452-86-8 Structure
IdentificationMore
[Name]

4-Methylcatechol
[CAS]

452-86-8
[Synonyms]

1,2-DIHYDROXY-4-METHYLBENZENE
3,4-DIHYDROXYTOLUENE
3,4-DIHYDROXYTOLUOL
4-METHYL-1,2-BENZENEDIOL
4-METHYLCATECHOL
4-METHYLPYROCATECHOL
HOMOBRENZCATECHIN
HOMOBRENZKATECHIN
HOMOCATECHOL
HOMOPYROCATECHOL
METHYLCATECHOL, 4-
2-Hydroxy-4-methylphenol
4-Methyl-1,2-benzenediol (4-methylpyrocatechol)
4-Methyl-1,2-dihydroxybenzene
4-methyl-2-benzenediol
4-methyl-benzene-1,2-diol
4-methyl-pyrocatecho
p-methylcatechol
p-Methylpyrocatechol
Pyrocatechol, 4-methyl-
[EINECS(EC#)]

207-214-5
[Molecular Formula]

C7H8O2
[MDL Number]

MFCD00002205
[Molecular Weight]

124.14
[MOL File]

452-86-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to brown powder or chunks
[Melting point ]

67-69 °C (lit.)
[Boiling point ]

251 °C (lit.)
[density ]

1.129 g/mL at 25 °C(lit.)
[refractive index ]

1.5425 (estimate)
[Fp ]

140 °C
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Powder or Chunks
[pka]

9.91±0.10(Predicted)
[color ]

White to brown
[Specific Gravity]

1.129
[Water Solubility ]

soluble
[BRN ]

636512
[InChIKey]

ZBCATMYQYDCTIZ-UHFFFAOYSA-N
[LogP]

1.340 (est)
[CAS DataBase Reference]

452-86-8(CAS DataBase Reference)
[NIST Chemistry Reference]

1,2-Benzenediol, 4-methyl-(452-86-8)
[EPA Substance Registry System]

452-86-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

UX1915000
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29072990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Natural 4-Methylcatechol-->5-METHYL-1,3-BENZODIOXOLE-->1-(2-Hydroxy-5-methylphenyl)ethanone-->5-Methylsalicylaldehyde-->m-Cresol
[Preparation Products]

2-Methoxy-4-methylphenol-->3,4-Dimethoxyphenol-->4-Methylcatecholdimethylacetate-->2-Pyridinecarboxylicacid,4-methyl-,methylester(9CI)-->4-Ethylresorcinol-->3,4-Dimethoxytoluene-->2-METHOXY-5-METHYLPHENOL-->Watermelon Ketone
Hazard InformationBack Directory
[Chemical Properties]

white to brown powder or chunks
[Uses]

4-Methylcatechol is used to synthesize antimicrobial, antioxidant. It also acts as effective inhibitor. It can be used to produce 4-bromo-5-methyl-pyrocatechol. It Increases Brain-Derived Neurotrophic Factor Content and mRNA Expression in Cultured Brain Cells and in Rat Brain In Vivo.
[Definition]

ChEBI: A methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies.
[Purification Methods]

Crystallise the catechol from *C6H6. The purity is checked by TLC. Crystallise it from high-boiling pet ether and distil it in a vacuum. [Beilstein 6 IV 5878.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methylcatechol(452-86-8)MS
4-Methylcatechol(452-86-8)1HNMR
4-Methylcatechol(452-86-8)13CNMR
4-Methylcatechol(452-86-8)IR1
4-Methylcatechol(452-86-8)IR2
4-Methylcatechol(452-86-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Methylcatechol, 95%(452-86-8)
[Alfa Aesar]

4-Methylcatechol, 96%(452-86-8)
[Sigma Aldrich]

452-86-8(sigmaaldrich)
[TCI AMERICA]

4-Methylcatechol,>98.0%(GC)(452-86-8)
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