2-Methylhydrochinon
Methylhydroquinone
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Grundinformationen
- CAS
95-71-6- Standard-SMILES
Cc1cc(O)ccc1O- InChIKey
CNHDIAIOKMXOLK-UHFFFAOYSA-N- Summenformel
- C7H8O2
- Durchschnittliche Molmasse
- 124,14 g/mol
- Monoisotopische Masse
- 124,0524295
Überblick
Toluquinol is a member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group. It has a role as an angiogenesis inhibitor, an anti-inflammatory agent and a Penicillium metabolite.
Namen und Bezeichner
- Bevorzugter Name
- Methylhydroquinone
- IUPAC
- 2-methylbenzene-1,4-diol
- Lokaler Name
- 2-Methylhydrochinon
- Englischer Name
- 2-Methylhydroquinone
- Summenformel
- C7H8O2
- Molmasse
- 124.14
Namen und Synonyme
Methylhydroquinone95-71-62-Methylhydroquinone2-methylbenzene-1,4-diol2,5-DihydroxytolueneToluhydroquinonep-ToluhydroquinoneToluquinolp-Toluquinolp-ToluhydroquinolTolylhydroquinone2,5-Toluenediol
Weitere Namen anzeigen
THQ
2-Methyl-1,4-benzenediol1,4-Benzenediol, 2-methyl-1,4-Dihydroxy-2-methylbenzene2-Methyl-1,4-hydroquinoneDTXSID4020876332W51E0OCNSC-4962DTXCID00876
Datenbank-Bezeichner
- CAS
95-71-6- PubChem CID
- 7253
- DTXSID
DTXSID4020876- ChEMBL
CHEMBL450917- ChEBI
CHEBI:133842- UNII
- 332W51E0OC
- EC Number
- 202-443-7
- Nikkaji
- J4.712K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 92,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
Vapor Pressure0.0028 [mmHg]
Physical Description
Dry Powder
Off-white solid with a slight odor; [Eastman Chemical MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 128 · 128-130 °C(lit.)
- Siedepunkt
- 285 °C · 285°C
- Dichte
- 1.1006 · 1.1006 (rough estimate)
- Dampfdruck
- 0.004 Pa · 0.004Pa at 25℃
- Brechungsindex
- 1.4922 · 1.4922 (estimate)
- Flammpunkt
- 172 °C · 172 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 77 g/l · 77g/l
- pka
- 1 · pK1:10.03;pK2:11.62 (25°C)
- Aggregatzustand
- Crystalline Powder
- Farbe
- Grayish-white to light beige
- Wasserlöslichkeit
- 77 g/L · 77 g/L (25 ºC)
- BRN
- 2041489 · 2041489
- Stabilität
- 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
- 0.9 at · 0.9 at 27℃
- CAS Datenbank
- 95 · 95-71-6(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1,4-Benzenediol, 2-methyl-(95-71-6)
- EPA chemische Informationen
- 2 · 2-Methylhydroquinone (95-71-6)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.1% (5 of 467) of reports.
Danger
H302 (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.
Gefahrenhinweise
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/27614
Methylhydroquinone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and eye irritant; Dust causes eye and respiratory tract irritation; Harmful by ingestion; [Eastman Chemical MSDS] See Hydroquinone.
Hazard Classes and CategoriesAcute Tox. 4 (94%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 2907299090
- RTECS-Nr.
- MX6700000
- risk_code
- 36/37/38-22
- Toxizität
- LD50 orally in Rabbit: 200 - 400 mg/kg
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1ASkin Sens. 1STOT SE 3
- Selbstentzündungstemperatur
- 851 °F
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as an inhibitor; [Eastman Chemical MSDS]
U.S. Production2023: 22,046 lb
Industry UsesCorrosion inhibitor
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1,4-Benzenediol, 2-methyl-: ACTIVE
Anwendungen
VerwendenAntioxidant, polymerization inhibitor.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group.
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