3-Cyclopropyl-3-Oxopropionic Acid Methyl Ester

HCID 10130016

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Grundinformationen

CAS: 32249-35-7
Standard-SMILES: COC(=O)CC(=O)C1CC1
InChIKey: RIJWDPRXCXJDPK-UHFFFAOYSA-N
Summenformel: C7H10O3
Durchschnittliche Molmasse: 142,15 g/mol
Monoisotopische Masse: 142,06299418

Namen und Bezeichner

Bevorzugter Name: 3-Cyclopropyl-3-Oxopropionic Acid Methyl Ester
IUPAC: methyl 3-cyclopropyl-3-oxopropanoate
Englischer Name: Methyl 3-cyclopropyl-3-oxopropionate
Summenformel: C7H10O3
Molmasse: 142.15

Namen und Synonyme

3-Cyclopropyl-3-oxopropionic acid methyl esterRefChem:500971608-722-3Methyl 3-cyclopropyl-3-oxopropanoate32249-35-7METHYL 3-CYCLOPROPYL-3-OXOPROPIONATE3-cyclopropyl-3-oxo-propionic acid methyl esterMFCD002740903-cyclopropyl-3-oxopropanoic acid methyl estermethyl-3-cyclopropyl-3-oxopropanoate3-Cyclopropyl-3-oxopropanoic-d5AcidMethylEsterMethyl 3-cyclopropyl-3-oxo-propanoate

Weitere Namen anzeigen

MCOPBUTTPARK 30\10-64Pitavastatin Impurity 79-3-oxo-propionic acid methyLMethyl β-oxocyclopropanepropanoateMethyl 2-(Cyclopropylcarbonyl)acetateMethyl3-Cyclopropyl-3-oxopropionate>Methyl 3-cyclopropyl-3-oxopropanoate 95%

Methyl 3-Cyclopropyl-3-oxopropionate; Methyl 2-(Cyclopropylcarbonyl)acetate; beta-Oxo-cyclopropanepropanoic Acid Methyl Ester;methyl3-cyclopropyl-3-oxopropanoateSCHEMBL221809Methyl-2-cyclopropanoyl-acetateDTXSID00435934AC-300methyl-3-cyclopropyl-3-oxopropionateSBB086231

Datenbank-Bezeichner

CAS: 32249-35-7
PubChem CID: 10130016
DTXSID: DTXSID00435934
EC Number: 608-722-3
Nikkaji: J899.689J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 10
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Siedepunkt: 193 °C · 193°C
Dichte: 1.174 · 1.174
Brechungsindex: 1.45 to · 1.4500 to 1.4540
Flammpunkt: 74 °C · 74°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform
Aggregatzustand: Oil
pka: 10.59 · 10.59±0.20(Predicted)
Farbe: Clear Colorless
InChI: InChI=1S/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3
InChIKey: RIJWDPRXCXJDPK-UHFFFAOYSA-N
SMILES: C1(CC1)C(=O)CC(=O)OC
CAS Datenbank: 32249 · 32249-35-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 3 (100%)