Basic information
- CAS
2380-22-5- Standard SMILES
CCCCCCCCCCCC(=O)CCCCCC(=O)OC- InChIKey
QTHPCXRUUSTYCU-UHFFFAOYSA-N- Molecular formula
- C19H36O3
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.26644501
Names & identifiers
- Preferred name
- Methyl 7-oxooctadecanoate
- IUPAC
- methyl 7-oxooctadecanoate
- English name
- 7-Oxooctadecanoic Acid Methyl Ester
- Molecular formula
- C19H36O3
- Molecular weight
- 312.49
Names & synonyms
Methyl 7-oxooctadecanoate2380-22-57-Oxooctadecanoic Acid Methyl EsterMETHYL7-OXOOCTADECANOATEMethyl 7-ketooctadecanateMethyl 7-Ketooctadecanoate; Methyl 7-Oxooctadecanoate;Octadecanoic acid,7-oxo-, methyl esterOctadecanoic acid, 7-oxo-, methyl esterMethyl 7-oxooctadecanoate #SCHEMBL6415465DTXSID80336879QTHPCXRUUSTYCU-UHFFFAOYSA-N
Show more names
7-Oxostearic acid methyl ester7-Ketostearic acid methyl ester
MFCD00012195
Database identifiers
- CAS
2380-22-5- PubChem CID
- 537006
- DTXSID
DTXSID80336879- Nikkaji
- J111.475A
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 50 · 50-52 °C(lit.)
- Boiling point
- 407.8 · 407.8±28.0 °C(Predicted)
- Density
- 0.911 · 0.911±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- LogP
- 6.172 · 6.172 (est)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
Uses7-Oxooctadecanoic Acid Methyl Ester is a long-chain aliphatic acid ester found in extracts from hardwood. 7-Oxooctadecanoic Acid Methyl Ester is used in the preparation of monofluorinated fatty acids as mechanistic probes.
Upstream & downstream products
Downstream products
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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