Grundinformationen
- Standard-SMILES
CCOCC(=O)O- InChIKey
YZGQDNOIGFBYKF-UHFFFAOYSA-N- Summenformel
- C4H8O3
- Durchschnittliche Molmasse
- 104,1 g/mol
- Monoisotopische Masse
- 104,04734412
Überblick
Ethoxyacetic acid is a liquid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Ethoxyacetic acid
- IUPAC
- 2-ethoxyacetic acid
- Lokaler Name
- Ethoxyessigsure
- Englischer Name
- Ethoxyacetic acid
- Summenformel
- C4H8O3
- Molmasse
- 104.1
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
627-03-2- PubChem CID
- 12301
- DTXSID
DTXSID7031294- ChEMBL
CHEMBL1159929- ChEBI
CHEBI:173365- UNII
- 467VW095BX
- EC Number
- 210-978-2
- Nikkaji
- J1.694B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 60
Experimentelle und physikochemische Eigenschaften
Physical Description
Ethoxyacetic acid is a liquid. (NTP, 1992)
Liquid; [CAMEO]
Physikochemische Eigenschaften
- Siedepunkt
- 97 · 97-100 °C/11 mmHg (lit.)
- Dichte
- 1.102 g/mL · 1.102 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.419(lit.)
- Flammpunkt
- 208 °F · 208 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid
- pka
- 3.65 · 3.65(at 18℃)
- Farbe
- Clear colorless to light yellow
- Wasserlöslichkeit
- soluble
- BRN
- 1743037 · 1743037
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
- InChIKey
- YZGQDNOIGFBYKF-UHFFFAOYSA-N
- SMILES
- CCOCC(O)=O
- CAS Datenbank
- 627 · 627-03-2(CAS DataBase Reference)
- NIST chemische Informationen
- Acetic acid, ethoxy-(627-03-2)
- EPA chemische Informationen
- Ethoxyacetic acid (627-03-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (65.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Acetic acid, ethoxy-
Ethoxyacetic acid: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
An ether and organic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat.
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29189900
- RTECS-Nr.
- AH3600000
- risk_code
- 34
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Anwendungen
VerwendenEthoxyacetic acid is used to evaluate toxicity in embryonic stem cell test in mice. It finds application as a biomarker of exposure to alkyl-substituted ethylene glycols and other aliphatic ethers. It is used as a precursor to prepare ethoxy-acetic acid ethoxymethyl ester.
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