Basic information
- CAS
50628-91-6- Standard SMILES
CCOC(=O)CCCCC(=O)CCCl- InChIKey
NPJCCMWYKLAISW-UHFFFAOYSA-N- Molecular formula
- C10H17ClO3
- Average molar mass
- 220.69 g/mol
- Monoisotopic mass
- 220.0866221
Names & identifiers
- Preferred name
- Octanoic acid, 8-chloro-6-oxo-, ethyl ester
- IUPAC
- ethyl 8-chloro-6-oxooctanoate
- English name
- Ethyl-6-oxo-8-chloroctanoate
- Molecular formula
- C10H17ClO3
- Molecular weight
- 220.69
Names & synonyms
50628-91-68-Chloro-6-oxooctanoic acid ethyl esterOCTANOIC ACID, 8-CHLORO-6-OXO-, ETHYL ESTERDTXSID40198672RefChem:366884DTXCID00121163ethyl 8-chloro-6-oxooctanoate8-chloro-6-oxo-octanoic acid ethyl esterThioctic Acid Impurity 7SCHEMBL991373ethyl 6-keto-8-chlorooctanoateethyl 8-chloro-6-oxo-octanoate
Show more names
Thioctic Acid Impurity 52Thioctic Acid Impurity 28Ethyl 6-oxo-8-chlorooctoateEthyl-6-oxo-8-chloroctanoateEthyl 8-chloro-6-oxooctanoate (Thioctic Acid Impurity)
FC20160DB-071231
Database identifiers
- CAS
50628-91-6- PubChem CID
- 39744
- DTXSID
DTXSID40198672- Nikkaji
- J24.759F
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 180
Physicochemical properties
- Boiling point
- 308.9 · 308.9±27.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Yellow to Brown
Chemistry & industry
Applications
UsesIntermediate in the synthesis of Lipoic Acid and its derivatives.
Suppliers45 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
苏州合森医药科技有限公司17621975170; 17621975170 · [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]
梯希爱（上海）化工贸易有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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