CAS 452-86-8|4-methylcatechol
| Common Name | 4-methylcatechol | ||
|---|---|---|---|
| CAS Number | 452-86-8 | Molecular Weight | 124.137 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 247.7±20.0 °C at 760 mmHg |
| Molecular Formula | C7H8O2 | Melting Point | 67-69 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 121.1±16.4 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 4-methylcatechol |
|---|---|
| Synonym | More Synonyms |
4-methylcatechol BiologicalActivity
| Description | 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase. |
|---|---|
| Related Catalog | Natural Products >>OthersResearch Areas >>Others |
| Target | Human Endogenous Metabolite Catechol 2,3-Dioxygenase |
| References | [1]. Okuta A, et al. Construction of chimeric catechol 2,3-dioxygenase exhibiting improved activity against the suicide inhibitor 4-methylcatechol. Appl Environ Microbiol. 2004 Mar;70(3):1804-10. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 247.7±20.0 °C at 760 mmHg |
| Melting Point | 67-69 °C(lit.) |
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.137 |
| Flash Point | 121.1±16.4 °C |
| Exact Mass | 124.052429 |
| PSA | 40.46000 |
| LogP | 1.34 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.595 |
| InChIKey | ZBCATMYQYDCTIZ-UHFFFAOYSA-N |
| SMILES | Cc1ccc(O)c(O)c1 |
| Water Solubility | soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 900 mg/kg/51W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors
MUTATION DATA - TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 10 mg/L
- REFERENCE :
- CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 14,251,1981
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 10 mg/L
- REFERENCE :
- CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 14,251,1981
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | UX1915000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2907299090 |
Customs
| HS Code | 2907299090 |
|---|---|
| Summary | 2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
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| Quantitative analysis of catechol and 4-methylcatechol in human urine. Food Chem. Toxicol. 20(5) , 587-90, (1982) A method was developed for the quantitative analysis of catechol and 4-methylcatechol in human urine. [U-14C]Catechol was used as in internal standard. Urine was treated with beta-glucuronidase and su... |
Synonyms
| 5-Methylcatechol |
| 2-Hydroxy-4-methylphenol |
| 4-Methylbenzol-1,2-diol |
| 1,2-Benzenediol, 4-methyl- |
| Homocatechol |
| 1-Methyl-3,4-dihydroxybenzene |
| 4-methyl-Pyrocatechol |
| p-Methylcatechol |
| 1,2-Dihydroxy-4-methylbenzene |
| 4-Methylpyrocatechol |
| EINECS 207-214-5 |
| 4-methylbenzene-1,2-diol |
| 4-methylcatechol |
| 4-Methyl-1,2-benzenediol |
| 4-methyl-1,2-dihydroxybenzene |
| MFCD00002205 |
| 3,4-dihydroxytoluene |
