2-エトキシフェノール

2-Ethoxyphenol

HCID 66755
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
94-71-3
標準SMILES
CCOc1ccccc1O
InChIKey
MOEFFSWKSMRFRQ-UHFFFAOYSA-N
分子式
C8H10O2
平均分子量
138.16 g/mol
単同位体質量
138.06807956

概要

2-ethoxyphenol is an aromatic ether that is catechol in which one of the hydroxy groups has been alkylated to give the corresponding ethyl ether. A low-melting (20-25 C), high-boiling (216-217 C) smoke flavour compound. It has a role as a flavouring agent. It is a volatile organic compound, a member of phenols and an aromatic ether. It is functionally related to a catechol.

名称と識別子

優先名称
2-Ethoxyphenol
IUPAC
2-ethoxyphenol
現地名
2-エトキシフェノール
英語名
2-Ethoxyphenol
分子式
C8H10O2
分子量
138.16

名称と別名

2-Ethoxyphenol94-71-3GuaetholPhenol, 2-ethoxy-Guethol2-EthyloxyphenolCatechol monoethyl ether1-hydroxy-2-ethoxybenzene878IW8P9PWNSC-1809CHEBI:141701RefChem:86848
名称をさらに表示
2-エトキシフェノールo-エトキシフェノールカテコールエチルエーテルO-エチルカテコールO-エチルピロカテコールグアエトールカテコールモノエチルエーテルグエトール2-エトキシフェノ-ルピロカテコールモノエチルエーテルエトキシフェノール2-ethoxy-phenoO-ETHYLCATECHOLCompound PDK0411
202-358-5o-EthoxyphenolPyrocatechol monoethyl etherPhenol, o-ethoxy-GuaietholMFCD00002187DTXSID20422762-ethoxylphenol

データベース識別子

CAS
94-71-3
PubChem CID
66755
DTXSID
DTXSID2042276
ChEMBL
CHEMBL225436
ChEBI
CHEBI:141701
UNII
878IW8P9PW
EC Number
202-358-5
Nikkaji
J38.175F

物性

構造計算による物性

XLogP
1.7
極性表面積
29.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
2
重原子数
10

実験および物理化学的性質

Chemical ClassesOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.91
Vapor Pressure0.02 [mmHg]
Physical Description · 2 件

Other Solid

Liquid; mp = 20-25 deg C; [Sigma-Aldrich MSDS]

物理化学的性質

融点
20 · 20-25 °C (lit.)
沸点
216 · 216-217 °C (lit.)
比重(密度)
1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
蒸気圧
1 hPa · 1 hPa (45 °C)
屈折率
20 · n20/D 1.529(lit.)
闪点
91 °C · 91 °C

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (85.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 9 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: Phenol, 2-ethoxy-

Phenol, 2-ethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-ethoxy- 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: 14-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11550

Pyrocatechol monoethyl ether: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

May cause serious eye injury and skin sensitization (positive murine Local Lymph Node Assay); [ECHA REACH Registrations] An irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] Search for (94-71-3[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]

Hazard Classes and CategoriesAcute Tox. 4 (85.5%)

毒性情報

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

安全データ

wgk
3
tsca
TSCA listed
ridadr
NA1993
毒性
LD50 orally in Rabbit: > 2000 mg/kg
hs_code
29095090
risk_code
22-37/38-41

化学と産業

用途と製造

UsesUsed as an intermediate; [ECHA REACH Registrations]
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Phenol, 2-ethoxy-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用2-Ethoxyphenol is used in the studies on the inhibition of oral bacteria by phenolic compounds. Studies on the prostagladins cyclooxygenase inhibition by phenolic compounds. Reagent for the stereoselective preparation of (arylthiomethyl)morpholines as selective norepinephrine reuptake inhibitors and dual serotonin/norepinephrine reuptake inhibitors.

一般的な説明2-Ethoxyphenol is a smoke flavour compound and forms complexes with iron (III).

上流・下流製品情報

サプライヤー100 社

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]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

関連反応

58 件
反応記録を作成

化合物ノート

読み込み中…