ChemicalBook--->CAS DataBase List--->488-17-5

488-17-5

488-17-5 Structure

488-17-5 Structure
IdentificationMore
[Name]

3-Methylcatechol
[CAS]

488-17-5
[Synonyms]

1,2-DIHYDROXY-3-METHYLBENZENE
2,3-DIHYDROXYTOLUENE
3-METHYLBENZENE-1,2-DIOL
3-METHYLCATECHOL
3-METHYLPYROCATECHOL
METHYLCATECHOL, 3-
2,3-Toluenediol
3-Methyl-1,2-benzenediol
3-Methyl-1,2-benzenediol (3-methylpyrocatechol)
3-Methyl-1,2-dihydroxybenzene
3-methyl-2-benzenediol
3-methyl-pyrocatecho
Catechol, 3-methyl-
Dihydroxytoluene
Pyrocatechol, 3-methyl-
3-Methylcatechol,98%
1,2-Benzenediol, 3-methyl-
2,3-DIHYDROXYTOLUENE/3-METHYLCATECHOL
1,2-Dihydroxy-3-(methyl-d3)benzene
2,3-Toluenediol-d3
[EINECS(EC#)]

207-672-6
[Molecular Formula]

C7H8O2
[MDL Number]

MFCD00016435
[Molecular Weight]

124.14
[MOL File]

488-17-5.mol
Chemical PropertiesBack Directory
[Appearance]

brown-grey crystalline powder
[Melting point ]

65-68 °C(lit.)
[Boiling point ]

241 °C(lit.)
[density ]

1.1006 (rough estimate)
[refractive index ]

1.5286 (estimate)
[Fp ]

140 °C
[storage temp. ]

2-8°C
[solubility ]

Acetonitrile (Slightly), Benzene (Slightly), Chloroform (Slightly)
[form ]

Solid
[pka]

9.91±0.10(Predicted)
[color ]

Grey
[Water Solubility ]

soluble
[Usage]

A novel enzyme inhibitor agent
[BRN ]

774602
[InChI]

1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
[InChIKey]

PGSWEKYNAOWQDF-UHFFFAOYSA-N
[SMILES]

Cc1cccc(O)c1O
[LogP]

1.340 (est)
[CAS DataBase Reference]

488-17-5(CAS DataBase Reference)
[NIST Chemistry Reference]

1,2-Benzenediol, 3-methyl-(488-17-5)
[EPA Substance Registry System]

488-17-5(EPA Substance)
Questions And AnswerBack Directory
[Synthesis]

0.2 mmol of 2-hydroxy-3-methylbenzaldehyde, 0.02 mmol of Flavin catalyst (0.1 equivalence), 200 μL of 1 M sodium bicarbonate aqueous solution (1 equivalence), 120 μL of 35% hydrogen peroxide solution (5 equivalence, 120 μL), and 2 mL of solvent (MeOH/H2O = 95/5) were added to a glass vial equipped with a stir bar. The mixture was stirred at room temperature for 3 hours, and the reaction progress was monitored by TLC until the starting material disappeared. After the reaction was complete, the mixture was transferred to a round-bottom flask, and 50 mg of silica gel was added. The solvent was evaporated under reduced pressure. The product-silica gel complex was packed onto a column and purified by column chromatography using ethyl acetate/n-hexane as eluent to obtain 3-methylcatechol.


Synthetic Route of 3-methylcatechol

Figure 3-Synthetic Route of 3-Methylcatechol

Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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 .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

UX1910000
[TSCA ]

Yes
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29072990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
[Safety Profile]

Poison bj intravenous ' route. When heated to decomposition it emits acrid smoke and fumes
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,3-Dihydroxytoluene(488-17-5).msds
Hazard InformationBack Directory
[Chemical Properties]

brown-grey crystalline powder
[Uses]

A novel enzyme inhibitor agent
[Definition]

ChEBI: 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.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methylcatechol(488-17-5)MS
3-Methylcatechol(488-17-5)1HNMR
3-Methylcatechol(488-17-5)13CNMR
3-Methylcatechol(488-17-5)IR1
3-Methylcatechol(488-17-5)IR2
3-Methylcatechol(488-17-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Methylcatechol, 98%(488-17-5)
[Sigma Aldrich]

488-17-5(sigmaaldrich)
[TCI AMERICA]

3-Methylcatechol,>99.0%(GC)(488-17-5)
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