Basic information
- CAS
22348-96-5- Standard SMILES
CCCCCCCC(=O)CC(=O)OC- InChIKey
QOQWSGSXXQSUOD-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- Decanoic acid, 3-oxo-, methyl ester
- IUPAC
- methyl 3-oxodecanoate
- English name
- methyl 3-oxodecanoate
- Molecular formula
- C11H20O3
- Molecular weight
- 200.27
Names & synonyms
Methyl 3-oxodecanoateDecanoic acid, 3-oxo-, methyl esterEINECS 244-928-6DTXSID1066784RefChem:131197DTXCID1036670244-928-622348-96-53-Oxodecanoic acid methyl ester3-Oxo-decanoic Acid Methyl EsterMFCD000860843-Ketocapric acid methyl ester
Show more names
Methyl3-oxodecanoateF3X4NR7XDEorb3028741SCHEMBL3450636SCHEMBL105437573-Oxo-decanoic Acid Methyl Ester;FM25421BP-29888
Database identifiers
- CAS
22348-96-5- PubChem CID
- 89669
- DTXSID
DTXSID1066784- UNII
- F3X4NR7XDE
- EC Number
- 244-928-6
- Nikkaji
- J132.451I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 92 · 92-98°C/0.5mm
- storage temp.
- Refrigerator
- solubility
- Chloroform(Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- LogP
- 3.37 · 3.370 (est)
- EPA Substance Registry System
- 3 · Decanoic acid, 3-oxo-, methyl ester (22348-96-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDecanoic acid, 3-oxo-, methyl ester: ACTIVE
Applications
UsesMethyl 3-Oxodecanoate (cas# 22348-96-5 ) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers19 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
TargetMol 中国（陶术生物）
Related reactions
2 records
Compound notes
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