Methyl 2-methyl-3-oxopentanoate

HCID 545860CAS 17422-12-7

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Grundinformationen

Standard-SMILES: CCC(=O)C(C)C(=O)OC
InChIKey: AVNZOGNVFGETNQ-UHFFFAOYSA-N
Summenformel: C7H12O3
Durchschnittliche Molmasse: 144,17 g/mol
Monoisotopische Masse: 144,07864424

Namen und Bezeichner

Bevorzugter Name: Methyl 2-methyl-3-oxopentanoate
IUPAC: methyl 2-methyl-3-oxopentanoate
Englischer Name: methyl 2-methyl-3-oxopentanoate
Summenformel: C7H12O3
Molmasse: 144.17

Namen und Synonyme

Methyl 2-methyl-3-oxopentanoate17422-12-7DTXSID30338005RefChem:354388DTXCID20289092828-680-12-methyl-3-oxopentanoic acid methyl esterPentanoic acid, 2-methyl-3-oxo-, methyl esterMFCD001847032-methyl-3-oxo-pentanoic acid methyl esterMethyl 2,4-Dimethyl-3-oxobutyrate; Methyl 2-Methyl-3-oxopentanoate; Methyl 2-Methyl-3-oxovalerate; Methyl 2-Propionylpropionate; Methyl 3-Oxo-2-methylpentanoate2-Methyl-3-oxo-pentanoicacid methyl ester

Weitere Namen anzeigen

methyl 2-methyl-3-oxopentanoate (2-METHYL-3-OXO-PENTANOIC ACID METHYL ESTER)

SCHEMBL114574Methyl2-methyl-3-oxopentanoatemethyl 2-methy-3-oxopentanoateMethyl 2-methyl-3-oxopentanoate #SAA42212AKOS010952273BS-21739DB-064949

Datenbank-Bezeichner

CAS: 17422-12-7
PubChem CID: 545860
DTXSID: DTXSID30338005
EC Number: 828-680-1
Nikkaji: J681.911G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 10
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Siedepunkt: 80 °C · 80 °C(Press: 12 Torr)
Dichte: 0.993 · 0.993±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 11.85 · 11.85±0.46(Predicted)
Farbe: Clear Colorless
InChIKey: AVNZOGNVFGETNQ-UHFFFAOYSA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.