2-Ethoxyphenol

HCID 66755CAS 94-71-3
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Grundinformationen

Standard-SMILES
CCOc1ccccc1O
InChIKey
MOEFFSWKSMRFRQ-UHFFFAOYSA-N
Summenformel
C8H10O2
Durchschnittliche Molmasse
138,16 g/mol
Monoisotopische Masse
138,06807956

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
2-Ethoxyphenol
IUPAC
2-ethoxyphenol
Lokaler Name
2-Ethoxyphenol
Englischer Name
2-Ethoxyphenol
Summenformel
C8H10O2
Molmasse
138.16

Namen und Synonyme

2-Ethoxyphenol94-71-3GuaetholPhenol, 2-ethoxy-Guethol2-EthyloxyphenolCatechol monoethyl ether1-hydroxy-2-ethoxybenzene878IW8P9PWNSC-1809CHEBI:141701RefChem:86848
Weitere Namen anzeigen
2-ethoxy-phenoO-ETHYLCATECHOLCompound PDK0411
202-358-5o-EthoxyphenolPyrocatechol monoethyl etherPhenol, o-ethoxy-GuaietholMFCD00002187DTXSID20422762-ethoxylphenol

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
29,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

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

Other Solid

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

Physikochemische Eigenschaften

Schmelzpunkt
20 · 20-25 °C (lit.)
Siedepunkt
216 · 216-217 °C (lit.)
Dichte
1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
Dampfdruck
1 hPa · 1 hPa (45 °C)
Brechungsindex
20 · n20/D 1.529(lit.)
Flammpunkt
91 °C · 91 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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 Eintrag

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%)

Toxikologische Informationen

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

Sicherheitsdaten

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

Chemie und Industrie

Verwendung und Herstellung

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

All Other Basic Organic Chemical Manufacturing

Phenol, 2-ethoxy-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2-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.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

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

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