Methyl 2-hydroxybutanoate

HCID 520445CAS 29674-47-3

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Grundinformationen

Standard-SMILES: CCC(O)C(=O)OC
InChIKey: DDMCDMDOHABRHD-UHFFFAOYSA-N
Summenformel: C5H10O3
Durchschnittliche Molmasse: 118,13 g/mol
Monoisotopische Masse: 118,06299418

Überblick

Methyl 2-hydroxybutanoate has been reported in Carica papaya and Mangifera indica with data available.

Namen und Bezeichner

Bevorzugter Name: Methyl 2-hydroxybutanoate
IUPAC: methyl 2-hydroxybutanoate
Englischer Name: 2-Hydroxybutanoic acid methyl ester
Summenformel: C5H10O3
Molmasse: 118.13

Namen und Synonyme

Methyl 2-hydroxybutanoate29674-47-3Butanoic acid, 2-hydroxy-, methyl estermethyl 2-hydroxybutyrateButyric acid, 2-hydroxy-, methyl esterMethyl .alpha.-hydroxybutyrateDTXSID00334352Methyl alpha-hydroxybutyrateMethyl ester of 2-hydroxy-butanoic acidRefChem:157346DTXCID10285442DDMCDMDOHABRHD-UHFFFAOYSA-N

Weitere Namen anzeigen

Methyl=2-hydroxybutanoate2-Hydroxybutyric acid methyl ester2-Hydroxybutanoic acid methyl ester

MFCD00229603Methyl2-hydroxybutanoateAKOS011495898BS-12394EN300-124198F71631MHBAButanoic acid, hydroxy-, methyl ester

Datenbank-Bezeichner

CAS: 29674-47-3
PubChem CID: 520445
DTXSID: DTXSID00334352
EC Number: 621-533-0
Nikkaji: J101.053K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 79,7

Physikochemische Eigenschaften

Siedepunkt: 68 °C · 68 °C(Press: 30 Torr)
Dichte: 1.05 · 1.050±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 13.07 · 13.07±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H226

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethyl 2-Hydroxybutanoate is an intermediate used in the synthesis of Bis(2-butoxyethyl) 2-(2-Hydroxybutoxy)ethyl Phosphate Triester (B415225),which is derived from Bis(2-butoxyethyl) 2-Hydroxyethyl Phosphate Triester (B415190) that is a metabolite of Tris(2-butyloxyethyl)phosphate (T875030), an organophosphate, that can be used in the preparation of flame retardant, such as viscose fiber.