Basic information
- CAS
104828-35-5- Standard SMILES
COC(=O)CCCCCCCCCCC(=O)c1ccccc1- InChIKey
ASTXNWXOCUSENG-UHFFFAOYSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384475
Names & identifiers
- Preferred name
- Methyl 12-oxo-12-phenyldodecanoate
- IUPAC
- methyl 12-oxo-12-phenyldodecanoate
- English name
- Methyl 12-oxo-12-phenyldodecanoate
- Molecular formula
- C19H28O3
- Molecular weight
- 304.42
Names & synonyms
methyl 12-oxo-12-phenyldodecanoate104828-35-5NSC132295DTXSID40299719methyl12-oxo-12-phenyldodecanoateMFCD16039591methyl 12-oxo-12-phenyl-dodecanoateAKOS015949368CS-W001284NSC-132295s11675MS-20914
Show more names
Methyl λ-oxobenzenedodecanoateBenzenedodecanoic acid, λ-oxo-, methyl ester
Database identifiers
- CAS
104828-35-5- PubChem CID
- 280550
- DTXSID
DTXSID40299719
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- storage temp.
- 0 · Store at 0-8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesMethyl 12-Oxo-12-phenyldodecanoate is used as a reactant in the synthesis of fatty acid analogs and phospholipids with aromatic fatty acid chains.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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