HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methylhydroquinone
THQ · TOLUHYDROQUINONE · METHYLHYDROQUINONE · 1,4-Benzenediol, 2-methyl- · P-TOLUHYDROQUINOL · 2-methyl-1,4-hydroquinone · 2,5-DIHYDROXYTOLUENE · 2-METHYL-1,4-BENZENEDIOL
Identifiers & Physical Properties
| CAS No. | 95-71-6 |
|---|---|
| Molecular formula | C7H8O2 |
| Average molar mass | 124.14 g/mol |
| Monoisotopic mass | 124.0524295 g/mol |
| SMILES | Cc1cc(O)ccc1O |
| InChIKey | CNHDIAIOKMXOLK-UHFFFAOYSA-N |
| PubChem CID | 7253 |
| ChEMBL | CHEMBL450917 |
| ChEBI | CHEBI:133842 |
| EC No. | 202-443-7 |
| DTXSID | DTXSID4020876 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 92.9 |
| Chemical classes | Other Classes -> Phenols |
| Vapor pressure | 0.0028 [mmHg]0.004Pa at 25℃ |
| Physical Description | Dry PowderOff-white solid with a slight odor[Eastman Chemical MSDS] |
| Melting point | 128-130 °C(lit.) |
| Boiling point | 285°C |
| Density | 1.1006 (rough estimate) |
| Refractive index | 1.4922 (estimate) |
| Flash point | 172 °C |
| Storage conditions | Store below +30°C. |
| Solubility | 77g/l77 g/L (25 ºC) |
| pKa (acidity coefficient) | pK1:10.03pK2:11.62 (25°C) |
| Physical state | Crystalline Powder |
| Color | Grayish-white to light beige |
| BRN | 2041489 |
| Stability | Stable. Combustible. Incompatible with oxidizing agents, strong bases. |
| InChI | 1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3 |
| InChIKey | CNHDIAIOKMXOLK-UHFFFAOYSA-N |
| SMILES | Cc1cc(O)ccc1O |
| LogP (partition coefficient) | 0.9 at 27℃ |
| CAS DataBase Reference | 95-71-6(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 332W51E0OC |
| NIST Chemistry Reference | 1,4-Benzenediol, 2-methyl-(95-71-6) |
| EPA Substance Registry System | 2-Methylhydroquinone (95-71-6) |
| UNSPSC Code | 12352104 |
| NACRES | NA.24 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335-H312 |
| GHS precautionary statements | P280-P304+P340-P405-P501a-P301+P312+P330-P305+P351+P338-P261 |
| Target organs | Respiratory system |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-22 |
| Safety statements (S) | 26-36 |
| UN transport number | 2811 |
| Water hazard class (WGK) | 2 |
| RTECS number | MX6700000 |
| Autoignition temperature | 851 °F |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1(b)Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1ASkin Sens. 1STOT SE 3 |
| Packing group | III |
| Customs code | 29072900 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Toxicity | LD50 orally in Rabbit: 200 - 400 mg/kg |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 1.1% (5 of 467) of reports.DangerH302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 467 reports by companies from 28 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: 1,4-Benzenediol, 2-methyl-1,4-Benzenediol, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenediol, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 05-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27614Methylhydroquinone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | A skin and eye irritantDust causes eye and respiratory tract irritationHarmful by ingestion[Eastman Chemical MSDS] See Hydroquinone. |
| Hazard Classes and Categories | Acute Tox. 4 (94%) |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| RTECS number | MX6700000 |
| UN transport number | 2811 |
| Customs code | 29072900 |
| Toxicity | LD50 orally in Rabbit: 200 - 400 mg/kg |
| Risk statements (R) | 36/37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-36 |
| Hazard class | 6.1(b)Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1ASkin Sens. 1STOT SE 3 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H319-H335-H312 |
| REACH registrations | Active |
| Autoignition temperature | 851 °F |
| GHS precautionary statements | P280-P304+P340-P405-P501a-P301+P312+P330-P305+P351+P338-P261 |
Applications & Uses
Uses
Antioxidant, polymerization inhibitor.
Uses
Methylhydroquinone is used as stabilizer and antioxidant in aerylic monomers to prevent polymerization.
Uses
Methylhydroquinone is a marine fungus metabolite, showing activity as an angiosupressor that interferes with the Akt pathway. Allows for screening of novel inhibitors of angiogenesis.
General Description
Methylhydroquinone is produced by the oxidation of o-cresol by the mutants G103S, G103S/A107G, and G103S/A107T.