Methyl 3-oxotetradecanoate

HCID 89670

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Basic information

CAS: 22348-97-6
Standard SMILES: CCCCCCCCCCCC(=O)CC(=O)OC
InChIKey: DTBSXIIDKUOHEN-UHFFFAOYSA-N
Molecular formula: C15H28O3
Average molar mass: 256.38 g/mol
Monoisotopic mass: 256.20384476

Names & identifiers

Preferred name: Methyl 3-oxotetradecanoate
IUPAC: methyl 3-oxotetradecanoate
English name: Methyl 3-oxotetradecanoate
Molecular formula: C15H28O3
Molecular weight: 256.38

Names & synonyms

Methyl 3-oxotetradecanoate22348-97-6EINECS 244-929-1DTXSID10176881RefChem:157529DTXCID4099372244-929-1MFCD00673474Methyl 3-oxomyristateTetradecanoic acid, 3-oxo-, methyl ester5JZD9UC56QSCHEMBL1376494

Show more names

3-Ketomyristic acid methyl esterMetyl lauroyl acetateMethyl β-KetoMyristateMethyl b-ketomyristateMethyl Lauroyl AcetateMETHYL 3-KETOTETRADECANOATE3-Oxomyristic acid methyl ester3-oxydecatetralkaneacidmethyl ester

AKOS015901948CS-0169302H11047Orlistat Impurity 613-oxo-Tetradecanoic Acid Methyl EsterPROPANEDIOICACIDMONOPOTASSIUMSALTMethyl beta-ketomyristateSCHEMBL5975912

Database identifiers

CAS: 22348-97-6
PubChem CID: 89670
DTXSID: DTXSID10176881
UNII: 5JZD9UC56Q
EC Number: 244-929-1
Nikkaji: J206.360C

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 13
Heavy atoms: 18
Formal charge: 0
Complexity: 224

Physicochemical properties

Melting point: 29 · 29-30°C
Boiling point: 137 · 137-139 °C(Press: 0.9 Torr)
Density: 0.926 · 0.926±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Solid
pka: 10.65 · 10.65±0.46(Predicted)
color: Light Yellow to Yellow
LogP: 5.5 · 5.500 (est)
FDA UNII: 5 JZD9UC56Q · 5JZD9UC56Q
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H413
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.