Methylhydroquinone (HCID 7253)

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Toluquinol is a member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group.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 Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 40,5 Å²
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 · 2 Einträge

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

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 4 Einträge

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: 29072900
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 · 2 Einträge

All Other Chemical Product and Preparation Manufacturing

1,4-Benzenediol, 2-methyl-: ACTIVE

Anwendungen

VerwendenAntioxidant, polymerization inhibitor.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

2,5-Dimethoxybenzylamine 4-Nitro-m-kresol Benzoic acid, 4-[4-[(1-oxo-2-propenyl)oxy]butoxy]-, 2-Methyl-1,4-phenylene ester 2,5-DIMETHOXY-4-METHYLBENZALDEHYDE 1,4-BENZENEDIETHANOL 4-Methylveratrol 2,5-Di(Methoxy-d3)-4-Methylbenzaldehyde 1,4-BIS-[4-(6-ACRYLOYLOXYHEXYLOXY)BENZOYLOXY]-2-METHYLBENZENE 1,4-Bis-[4-(3-acryloyloxypropyloxy)benzoyloxy]-2-methylbenzene

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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.