Methylhydroquinone (HCID 7253)

概要

Toluquinol is a member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group.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

名称と識別子

優先名称: Methylhydroquinone
IUPAC: 2-methylbenzene-1,4-diol
現地名: メチルヒドロキノン
英語名: 2-Methylhydroquinone
分子式: C7H8O2
分子量: 124.14

名称と別名

Methylhydroquinone95-71-62-Methylhydroquinone2-methylbenzene-1,4-diol2,5-DihydroxytolueneToluhydroquinonep-ToluhydroquinoneToluquinolp-Toluquinolp-ToluhydroquinolTolylhydroquinone2,5-Toluenediol

名称をさらに表示

メチルヒドロキノン2-メチルヒドロキノンメチルハイドロキノン2,5-ジヒドロキシトルエンp-トルヒドロキノン2-メチルベンゼン-1，4-ジオール2-メチルヒドロキノン, 99%PyrolinTHQ

2-Methyl-1,4-benzenediol1,4-Benzenediol, 2-methyl-1,4-Dihydroxy-2-methylbenzene2-Methyl-1,4-hydroquinoneDTXSID4020876332W51E0OCNSC-4962DTXCID00876

データベース識別子

CAS: 95-71-6
PubChem CID: 7253
DTXSID: DTXSID4020876
ChEMBL: CHEMBL450917
ChEBI: CHEBI:133842
UNII: 332W51E0OC
EC Number: 202-443-7
Nikkaji: J4.712K

物性

構造計算による物性

XLogP: 1
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 92.9

実験および物理化学的性質

Chemical ClassesOther Classes -> Phenols

Vapor Pressure0.0028 [mmHg]

Physical Description · 2 件

Dry Powder

Off-white solid with a slight odor; [Eastman Chemical MSDS]

物理化学的性質

融点: 128 · 128-130 °C(lit.)
沸点: 285 °C · 285°C
比重(密度): 1.1006 · 1.1006 (rough estimate)
蒸気圧: 0.004 Pa · 0.004Pa at 25℃
屈折率: 1.4922 · 1.4922 (estimate)
闪点: 172 °C · 172 °C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 77 g/リットル · 77g/リットル
酸解離定数(Pka): 1 · pK1:10.03;pK2:11.62 (25°C)
外見: 結晶性粉末
色: グレイッシュホワイトからライトベージュ
水溶解度: 77 g/L · 77g/L（25℃）
BRN: 2041489 · 2041489
安定性: 安定。可燃性。酸化剤、強塩基とは相容れない。
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 データベース: 95 · 95-71-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,4-Benzenediol, 2-methyl-(95-71-6)
EPAの化学物質情報: 2 · 2-Methylhydroquinone (95-71-6)

化学的性質

化学的特性white solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: MX6700000
ridadr: 2811
毒性: LD50 orally in Rabbit: 200 - 400 mg/kg
hs_code: 29072900
risk_code: 36/37/38-22
化審法: (3)-546, (4)-57
hazard_code: Xi,Xn
safety_code: 26-36
hazard_class: 6.1(b)
packing_group: III
自然発火温度: 851 °F
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1ASkin Sens. 1STOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

UsesUsed as an inhibitor; [Eastman Chemical MSDS]

U.S. Production2023: 22,046 lb

Industry UsesCorrosion inhibitor

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

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

応用分野

使用Antioxidant, polymerization inhibitor.

一般的な説明Methylhydroquinone is produced by the oxidation of o-cresol by the mutants G103S, G103S/A107G, and G103S/A107T.

調製方法

純化方法Crystallise the quinone from EtOH. [Beilstein 6 IV 5866.]

上流・下流製品情報

下流製品

2,5-ジメトキシベンジルアミン 4-ニトロ-m-クレゾール Benzoic acid, 4-[4-[(1-oxo-2-propenyl)oxy]butoxy]-, 2-Methyl-1,4-phenylene ester 2,5-ジメトキシ-4-メチルベンズアルデヒド 1,4-ビス(2-ヒドロキシエチル)ベンゼン 3,4-ジメトキシトルエン 2,5-Di(Methoxy-d3)-4-Methylbenzaldehyde ビス(4-((6-(アクリロイルオキシ)ヘキシル)オキシ)安息香酸)2-メチル-1,4-フェニレン 1,4-ビス[4-(3-アクリロイルオキシプロポキシ)ベンゾイルオキシ]-2-メチルベンゼン

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補足説明

定義ChEBI: A member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group.

メチルヒドロキノン

基本情報

概要