Basic information
- CAS
52313-46-9- Standard SMILES
CCOC(=O)C(CC(=O)c1ccccc1)C(C)=O- InChIKey
YZRBASVLKZJUQM-UHFFFAOYSA-N- Molecular formula
- C14H16O4
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.10485899
Names & identifiers
- Preferred name
- Ethyl 2-acetyl-4-oxo-4-phenylbutanoate
- IUPAC
- ethyl 2-acetyl-4-oxo-4-phenylbutanoate
- English name
- 3-ETHOXYCARBONYL-1-PHENYLPENTANE-1,4-DIONE
- Molecular formula
- C14H16O4
- Molecular weight
- 248.27
Names & synonyms
ethyl 2-acetyl-4-oxo-4-phenylbutanoate52313-46-9DTXSID50310308RefChem:342569DTXCID20261434962-936-4Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester3-Oxo-2-(2-oxo-2-phenyl-ethyl)-butyric acid ethyl esterNSC225097SCHEMBL1156528YZRBASVLKZJUQM-UHFFFAOYSA-NCCA31346
Show more names
3-ETHOXYCARBONYL-1-PHENYLPENTANE-1,4-DIONE3-Ethoxycarbonyl-1-phenylpentane-1,4-dione, tech.Benzenebutanoic acid, α-acetyl-γ-oxo-, ethyl ester
MFCD00221062NSC-225097DB-124763CS-0230207EN300-102740G35136F6489143-Oxo-2-(2-oxo-2-phenylethyl)-butyric acid ethyl ester
Database identifiers
- CAS
52313-46-9- PubChem CID
- 312893
- DTXSID
DTXSID50310308- EC Number
- 962-936-4
- Nikkaji
- J3.797.617B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
MOLEKULA[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
40 records
Compound notes
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