2-Ethoxyphenol (HCID 66755)

개요

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.

이름 및 식별자

우선 이름: 2-Ethoxyphenol
IUPAC: 2-ethoxyphenol
현지명: 2-에톡시페놀
영어명: 2-Ethoxyphenol
분자식: C8H10O2
분자량: 138.16

이름 및 동의어

2-Ethoxyphenol94-71-3GuaetholPhenol, 2-ethoxy-Guethol2-EthyloxyphenolCatechol monoethyl ether1-hydroxy-2-ethoxybenzene878IW8P9PWNSC-1809CHEBI:141701RefChem:86848

이름 더 보기

2-에톡시페놀2-ethoxy-phenoO-ETHYLCATECHOLCompound PDK0411

202-358-5o-EthoxyphenolPyrocatechol monoethyl etherPhenol, o-ethoxy-GuaietholMFCD00002187DTXSID20422762-ethoxylphenol

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 93.3

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.91

Vapor Pressure0.02 [mmHg]

Physical Description · 2건

Other Solid

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

물리화학적 성질

녹는점: 20 · 20-25 °C (lit.)
끓는 점: 216 · 216-217 °C (lit.)
밀도: 1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
증기압: 1 hPa · 1 hPa (45 °C)
굴절률: 20 · n20/D 1.529(lit.)
인화점: 91 °C · 91 °C
저장 조건: 30 °C · Store below +30°C.
용해도: 9 g/L · 9g/L
산도 계수 (pKa): 1 · pK1:10.109 (25°C)
물리적 상태: 액체
색상: 무색~황색으로 투명함
수용성: 8.414 g/L · 8.414g/L(24.99ºC)
BRN: 1100453 · 1100453
InChI: 1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
InChIKey: MOEFFSWKSMRFRQ-UHFFFAOYSA-N
SMILES: CCOc1ccccc1O
LogP: 1.68 · 1.680
NIST: 2 · Phenol, 2-ethoxy-(94-71-3)
EPA: 2 · Phenol, 2-ethoxy- (94-71-3)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 4건

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 · 1건

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%)

독성 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: NA1993
독성: LD50 orally in Rabbit: > 2000 mg/kg
HS 번호: 29095090
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-36/37/39-37/39
위험 등급: CBL
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

UsesUsed as an intermediate; [ECHA REACH Registrations]

U.S. Production2023: 1,000,000 - <5,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Phenol, 2-ethoxy-: ACTIVE

응용 분야 · 2건

용도2-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.

일반 설명2-Ethoxyphenol is a smoke flavour compound and forms complexes with iron (III).

상·하류 제품 정보

상류 원료

Benzene, 1-ethoxy-2-methoxy-4-methyl-2-Phenylethyl-1,1,2,2-d4-amine p-메톡시페네톨 Benzeneacetaldehyde, 2,5-dimethoxy-α-methyl-Benzene, 4-butyl-1,2-dimethoxy-2-에톡시-1-니트로나프탈렌 2-Naphthalenol, 1-[2-(2-ethoxyphenyl)diazenyl]-

하류 제품

에틸바닐린

공급사50 곳

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]

연결된 노트

불러오는 중…

2-에톡시페놀

기본 정보

개요