CAS 700-13-0 Trimethylhydroquinone (HCID 12785)

概要

2,3,5-trimethylhydroquinone is a member of the class of hydroquinones that is hydroquinone substituted by methyl groups at positions 2, 3 and 5. It is a member of hydroquinones and a methylbenzene.

名称と識別子

優先名称: Trimethylhydroquinone
IUPAC: 2,3,5-trimethylbenzene-1,4-diol
現地名: トリメチルヒドロキノン
英語名: Trimethylhydroquinone
分子式: C9H12O2
分子量: 152.19

名称と別名

Trimethylhydroquinone700-13-02,3,5-TrimethylhydroquinonePseudocumohydroquinonepsi-Cumohydroquinone1,4-Benzenediol, 2,3,5-trimethyl-2,3,6-Trimethylhydroquinone2,3,5-Trimethyl-1,4-benzenediol2,3,5-TrimethylquinolDTXSID7052446GSY6340N4ANSC-401617

名称をさらに表示

トリメチルヒドロキノン2，3，5－トリメチルハイドロキノントリメチルハイドロキノン2,3,4-トリヒドロキシベンゾフェノンtmhq3,6-dihydroxypseudocumol-Cumoquinol2,3,5- trimethyl-1trimethyl-hydroquinonTrimethylhydroqninone

DTXCID9031018CHEBI:176794RefChem:441842211-838-32,3,5-trimethylbenzene-1,4-diol.psi.-CumohydroquinoneHYDROQUINONE, TRIMETHYL-2,3,5-Trimethyl-benzene-1,4-diol

データベース識別子

CAS: 700-13-0
PubChem CID: 12785
DTXSID: DTXSID7052446
ChEMBL: CHEMBL3182864
ChEBI: CHEBI:176794
UNII: GSY6340N4A
EC Number: 211-838-3
Nikkaji: J12.289K

物性

構造計算による物性

XLogP: 1.7
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: 11
形式電荷: 0
複雑度: 136

実験および物理化学的性質

Chemical ClassesOther Classes -> Phenols

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.000204 [mmHg]

Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 169 · 169-172 °C (lit.)
沸点: 295 °C · 295 °C (759.8513 mmHg)
比重(密度): 0.9595 · 0.9595 (rough estimate)
蒸気圧: 0 · 0-0.017Pa at 20-50℃
屈折率: 1.4464 · 1.4464 (estimate)
闪点: 191 °C · 191 °C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 0.1 g/mL、透明 · メタノール: 0.1 g/mL、透明
酸解離定数(Pka): 11.28 · 11.28±0.28(Predicted)
外見: 結晶性粉末
色: ベージュ
水溶解度: 2 g/L · 2g/L（20℃）
BRN: 1909183 · 1909183
安定性: 安定。可燃性。強力な酸化剤とは相容れない。
InChI: 1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
InChIKey: AUFZRCJENRSRLY-UHFFFAOYSA-N
SMILES: Cc1cc(O)c(C)c(C)c1O
LogP: 3.32 at · 3.32 at 25℃
CAS データベース: 700 · 700-13-0(CAS DataBase Reference)
NISTの化学物質情報: Trimethylhydroquinone(700-13-0)
EPAの化学物質情報: 1 · 1,4-Benzenediol, 2,3,5-trimethyl- (700-13-0)

化学的性質

化学的特性off-white, tan or orange powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.6% (1 of 171) of reports.

Danger

H315 (99.4%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,4-Benzenediol, 2,3,5-trimethyl-

Status: Active Update: 04-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27694

1,4-Benzenediol, 2,3,5-trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards Summary · 1 件

Causes burns or irritation to rabbit skin; A severe eye irritant in rabbits; A skin sensitizer in guinea pig skin painting test; [IUCLID] Danger of skin sensitization; [MAK] Causes corneal damage, other cardiac changes, and emphysema in inhalation lethal-concentration studies of rats; [RTECS] An irritant that may cause serious eye injury; May cause skin sensitization; Harmful by inhalation; [Sigma-Aldrich MSDS] See Hydroquinone.

Hazard Classes and Categories · 4 件

Skin Irrit. 2 (99.4%)

Acute toxicity - category 4

Acute toxicity (Inhalation: Dusts and mists) - Category 4

Acute Tox. 4 *

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

Toxicity DataLC50 (rat) = 1,500 mg/m3/4hr

安全データ

F: 9-23
wgk: 2
tsca: TSCA listed
rtecs: MX7820000
ridadr: UN 3077 9/PG 3
hs_code: 29072990
risk_code: 20-37/38-41-43-50/53
化審法: (3)-552, (4)-57, (9)-913
hazard_code: Xn,N
safety_code: 24-26-37/39-60-61
hazard_class: 9
packing_group: III
Hazard Classifications: Acute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesReducing agent. [ChemIDplus] Used to make fine chemicals; [ExPub: ECHA REACH Registrations]

General Manufacturing Information1,4-Benzenediol, 2,3,5-trimethyl-: ACTIVE

応用分野

用途ビタミンE の中間原料,医薬,重合防止剤および樹脂添加剤

使用Trimethylhydroquinone is used for synthesizing vitamin E and used as medical intermediate.

調製方法

純化方法Recrystallise the hydroquinone from water, under anaerobic conditions. [Beilstein 6 H 931, 6 IV 5997.]

上流・下流製品情報

上流原料

水質分析用標準溶液 1,2,4-トリメチルベンゼン (1mg/mL メタノール溶液)ハイドロサルファイトナトリウム

下流製品

酢酸DL-α-トコフェロールビタミンE 酢酸D-α-トコフェロール D-α-トコフェロールセラトロダスト 1-O-ヘキシル-2,3,5-トリメチルヒドロキノン 1-ピバロイル-2,3,5-トリメチルヒドロキノン

サプライヤー100 社

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爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

化合物ノート

読み込み中…

トリメチルヒドロキノン

基本情報

概要