Grundinformationen
- Standard-SMILES
CCOCCC(=O)OCC- InChIKey
BHXIWUJLHYHGSJ-UHFFFAOYSA-N- Summenformel
- C7H14O3
- Durchschnittliche Molmasse
- 146,18 g/mol
- Monoisotopische Masse
- 146,09429431
Überblick
Ethyl-3-ethoxypropionate is a water-white liquid with an ester-like odor. Floats on water. (USCG, 1999)
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 3-ethoxypropionate
- IUPAC
- ethyl 3-ethoxypropanoate
- Lokaler Name
- Ethyl-3-ethoxypropionat
- Englischer Name
- Ethyl 3-ethoxypropionate
- Summenformel
- C7H14O3
- Molmasse
- 146.18
Namen und Synonyme
Ethyl 3-ethoxypropionate763-69-9Propanoic acid, 3-ethoxy-, ethyl esterEthyl-3-ethoxypropionateEthyl beta-ethoxypropionateDTXSID0027309EC38RSJ79JNSC-8870DTXCID907309RefChem:1386923-EEP212-112-9
Weitere Namen anzeigen
EEPEEP-3eep solventEktapro EEPcas no 763-69-9ethoxypropionate3-ethoxypropionate
Ethyl 3-ethoxypropanoate3-Ethoxypropionic acid ethyl esterEthyl 3-EthyoxypropionateEthoxypropionic acid, ethyl esterNSC 8870MFCD00051356PROPIONIC ACID, 3-ETHOXY-, ETHYL ESTEREthylester kyseliny 3-ethoxypropionove
Datenbank-Bezeichner
- CAS
763-69-9- PubChem CID
- 12989
- DTXSID
DTXSID0027309- ChEMBL
CHEMBL3561286- UNII
- EC38RSJ79J
- EC Number
- 212-112-9
- Nikkaji
- J25.585H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 90,9
Experimentelle und physikochemische Eigenschaften
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesBoiling point
Density
0.95 (USCG, 1999) - Less dense than water; will float
0.95
0.9496 @25 °C
Flash Point
138 °F (USCG, 1999)
138 °F
138 °F
Boiling Point
338 °F at 760 mmHg (USCG, 1999)
Boiling point range = 165-172 °C
338 °F
170.1 °C @760 [mm Hg]
Melting Point
-148 °F (USCG, 1999)
-148 °F
-100 °C
Vapor Pressure0.9 [mmHg]
Physical Description
Ethyl-3-ethoxypropionate is a water-white liquid with an ester-like odor. Floats on water. (USCG, 1999)
Liquid; CBI
Water-white liquid with an ester-like odor; [CAMEO]
Water-white liquid with an ester-like odor.
Physikochemische Eigenschaften
- Schmelzpunkt
- -75 °C · -75 °C
- Siedepunkt
- 166 °C · 166 °C (lit.)
- Dichte
- 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
- Dampfdichte
- 5.03 · 5.03 (vs air)
- Dampfdruck
- 2 hPa · 2.0 hPa (25 °C)
- Brechungsindex
- 20 · n20/D 1.405(lit.)
- Flammpunkt
- 126 °F · 126 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 54.1 g/L · water: soluble54.1 g/L at 20°C
- Aggregatzustand
- Liquid
- Farbe
- Clear
- Wasserlöslichkeit
- 1.6 g/100 · 1.6 g/100 mL (20 ºC)
- Henry's Law Constant
- 1.5 · 1.5×10-2 mol/(m3Pa) at 25℃, Yaws (1999)
- InChI
- 1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3
- InChIKey
- BHXIWUJLHYHGSJ-UHFFFAOYSA-N
- SMILES
- CCOCCC(=O)OCC
- LogP
- 1.47 at · 1.47 at 20℃
- CAS Datenbank
- 763 · 763-69-9(CAS DataBase Reference)
- NIST chemische Informationen
- 3 · Propionic acid, 3-ethoxy-, ethyl ester(763-69-9)
- EPA chemische Informationen
- 3 · Ethyl 3-ethoxypropionate (763-69-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 15.2% (234 of 1538) of reports.
Warning
H226 (83.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1538 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 3-ethoxy-, ethyl ester
Propanoic acid, 3-ethoxy-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-ethoxy-, ethyl ester 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: 22-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1990
Propanoic acid, 3-ethoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanoic acid, 3-ethoxy-, ethyl ester: Human health tier I assessment
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsLiquid or mist may irritate th eyes and skin. May cause headache, nausea and vomiting, central nervous system depression with dizziness, drowsiness and unconsciousness. (USCG, 1999)
Hazards Summary
It appears to be similar to other esters with low toxicity. It is a mild mucous membrane irritant. Animal studies show no adverse effects below 250 ppm. Its unpleasant odor limits use as a substitute for glycol ethers in the electronics industry. [Sullivan, p. 450-1] A skin and eye irritant; Inhalation of high concentrations can cause CNS depression; [CAMEO]
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
EPA Safer ChemicalChemical: Ethyl-3-ethoxy propionate
Reactivity Profile
ETHYL-3-ETHOXYPROPIONATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Peroxide Forming Chemical
Ethyl 3-ethoxypropionate
D: Other compounds that may form peroxides
Kelly
http://datasheets.scbt.com/sc-279086.pdf
Hazard Classes and Categories
Flam. Liq. 3 (83.4%)
Flammable liquids - Category 3
Sicherheit und Schutzausrüstung
Fire FightingFire Extinguishing Agents Not to Be Used: Water may be ineffective.
First AidINHALATION: Call for medical aid. Remove the victim to fresh air. Give artificial respiration, if not breathing. Give oxygen if breathing difficult.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC)
15 [mg/m3]
170 [mg/m3]
990 [mg/m3]
Personal Protective Equipment (PPE)Rubber boots, rubber gloves, rubber apron, and self-contained breathing apparatus or a supplied air respirator. (USCG, 1999)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29189900
- RTECS-Nr.
- UF3325000
- risk_code
- 10-19-50-36-66
- Toxizität
- LD50 orally in Rabbit: 3200 mg/kg
- hazard_code
- N,Xi
- safety_code
- 25-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
- Selbstentzündungstemperatur
- 377 °C
Chemie und Industrie
Verwendung und Herstellung
UsesSemiconductor Manufacturing [Category: Industry]
U.S. Production2023: 10,000,000 - <50,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 151 consumer products that contain Ethyl 3-ethoxy propionate in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
General Manufacturing Information
Printing Ink Manufacturing
Propanoic acid, 3-ethoxy-, ethyl ester: ACTIVE
Anwendungen
VerwendenEthyl 3-ethoxypropionate is used in the synthesis of phenols and selective inhibitors of cyclin-dependant kinase 4/6 for novel cancer therapies. It is also used as a solvent to prepare polymers. Further, it is used in paints and coatings.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Zugehörige Reaktionen
6
Verknüpfte Notizen
Wird geladen…