ethyl (2R)-2-hydroxypropanoate
Grundinformationen
- CAS
7699-00-5- Standard-SMILES
CCOC(=O)[C@@H](C)O- InChIKey
LZCLXQDLBQLTDK-SCSAIBSYSA-N- Summenformel
- C5H10O3
- Durchschnittliche Molmasse
- 118,13 g/mol
- Monoisotopische Masse
- 118,06299418
Namen und Bezeichner
- Bevorzugter Name
- ethyl (2R)-2-hydroxypropanoate
- IUPAC
- ethyl (2R)-2-hydroxypropanoate
- Englischer Name
- (+)-Ethyl D-lactate
- Summenformel
- C5H10O3
- Molmasse
- 118.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
7699-00-5- PubChem CID
- 637513
- DTXSID
DTXSID50348444- ChEBI
CHEBI:78323- EC Number
- 628-439-9
- Nikkaji
- J70.574H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 79
Physikochemische Eigenschaften
- Siedepunkt
- 150 · 150-153 °C
- Dichte
- 1.0345 g/cm3 · 1.0345 g/cm3(Temp: 23 °C)
- Brechungsindex
- 20 · n20/D 1.413
- Flammpunkt
- 46 °C · 46 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- Aggregatzustand
- liquid
- pka
- 13.21 · 13.21±0.20(Predicted)
- Farbe
- Colourless
- BRN
- 1720840 · 1720840
- InChI
- InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m1/s1
- InChIKey
- LZCLXQDLBQLTDK-SCSAIBSYSA-N
- SMILES
- C(OCC)(=O)[C@H](O)C
- LogP
- -0.188 · -0.188 (est)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 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
Sicherheitsdaten
- F
- 3
- wgk
- 3
- ridadr
- UN 1192 3/PG 3
- hs_code
- 2918199890
- risk_code
- 10-37-41
- hazard_code
- Xi
- safety_code
- 24-26-39
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 3STOT SE 3
Chemie und Industrie
Vor- und nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: (+)-Ethyl D-lactate is the ethyl ester obtained of 2-hydroxypropanoic acid. It has a role as a metabolite. (+)-Ethyl D-lactate is a secondary alcohol, a lactate ester and an ethyl ester. It is functionally related to a 2-hydroxypropanoic acid.
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