Grundinformationen
- Standard-SMILES
CCOc1ccccc1C(=O)O- InChIKey
XDZMPRGFOOFSBL-UHFFFAOYSA-N- Summenformel
- C9H10O3
- Durchschnittliche Molmasse
- 166,17 g/mol
- Monoisotopische Masse
- 166,06299418
Namen und Bezeichner
- Bevorzugter Name
- 2-Ethoxybenzoic acid
- IUPAC
- 2-ethoxybenzoic acid
- Lokaler Name
- 2-Ethoxybenzoesure
- Englischer Name
- 2-Ethoxybenzoic acid
- Summenformel
- C9H10O3
- Molmasse
- 166.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
134-11-2- PubChem CID
- 67252
- DTXSID
DTXSID3059638- ChEMBL
CHEMBL4303266- UNII
- 5IN9FDI7TT
- EC Number
- 205-130-3
- Nikkaji
- J134.740C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 156
Physikochemische Eigenschaften
- Schmelzpunkt
- 19.3 · 19.3-19.5 °C (lit.)
- Siedepunkt
- 174 · 174-176 °C/15 mmHg (lit.)
- Dichte
- 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.281 Pa · 0.281Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.54(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 95 % · 95% ethanol: soluble5%, clear, colorless to yellow
- Aggregatzustand
- Liquid
- pka
- 1 · pK1:4.21 (20°C)
- Wichte
- 1.105 · 1.105
- Farbe
- White or Colorless to Light yellow to Light orange
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 2691039 · 2691039
- InChI
- 1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- InChIKey
- XDZMPRGFOOFSBL-UHFFFAOYSA-N
- SMILES
- CCOc1ccccc1C(O)=O
- LogP
- 1.295 at · 1.295 at 25℃
- CAS Datenbank
- 134 · 134-11-2(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzoic acid, 2-ethoxy-(134-11-2)
- EPA chemische Informationen
- 2 · Benzoic acid, 2-ethoxy- (134-11-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (78.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Benzoic acid, 2-ethoxy-
Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884;Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828
Benzoic acid, 2-ethoxy-: 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.
Regulatorische Informationen
Regulatory Information
Chemical: Benzoic acid, 2-ethoxy-
Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884;Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828
Benzoic acid, 2-ethoxy-: 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.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29189900
- risk_code
- 36/37/38-26-22
- hazard_code
- Xi,T
- safety_code
- 23-24/25-45-36/37-28-26
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Ethoxybenzoic acid is used in thermally induced solvent-free reactions of triphenylbismuth with a series of thiols and carboxylic acids. It serves as an active component of dental cement. Further, it prevents the entry of root-canal pathogens into periapical regions.
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