Basic information
- CAS
13277-74-2- Standard SMILES
CCOC(=O)C(C(C)=O)C(c1ccccc1)C(C(C)=O)C(=O)OCC- InChIKey
VJDMHFPDRYFKOU-UHFFFAOYSA-N- Molecular formula
- C19H24O6
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.15728849
Names & identifiers
- Preferred name
- Diethyl 2,4-diacetyl-3-phenylpentanedioate
- IUPAC
- diethyl 2,4-diacetyl-3-phenylpentanedioate
- English name
- Diethyl 2,4-diacetyl-3-phenylpentanedioate
- Molecular formula
- C19H24O6
- Molecular weight
- 348.39
Names & synonyms
diethyl 2,4-diacetyl-3-phenylpentanedioate13277-74-2DTXSID00305143RefChem:1083475DTXCID70256274TCMDC-125515NSC169221CHEMBL546151SCHEMBL27814580VJDMHFPDRYFKOU-UHFFFAOYSA-NSTK680370AKOS005596222
Show more names
2,4-diacetyl-3-phenyl-glutaric acid diethyl esterPentanedioic acid, 2,4-diacetyl-3-phenyl-, 1,5-diethyl ester
NSC-169221NCGC00343063-01DB-319141ST4097667AB01334952-02diethyl 2,4-diacetyl-3-phenylpentane-1,5-dioatePentanedioic acid, 2,4-diacetyl-3-phenyl-, diethyl ester
Database identifiers
- CAS
13277-74-2- PubChem CID
- 297900
- DTXSID
DTXSID00305143- ChEMBL
CHEMBL546151
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Melting point
- 156 · 156-157 °C
- Boiling point
- 467.3 · 467.3±45.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.25 · 10.25±0.59(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
天津始加生物医药科技有限公司15022261580 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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