Basic information
- CAS
57477-98-2- Standard SMILES
CCOC(=O)CC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
MJCRLYUYIXGGAX-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- Ethyl 3-oxo-3-(4-phenylphenyl)propanoate
- IUPAC
- ethyl 3-oxo-3-(4-phenylphenyl)propanoate
- English name
- 3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER
- Molecular formula
- C17H16O3
- Molecular weight
- 268.31
Names & synonyms
57477-98-2ethyl 3-oxo-3-(4-phenylphenyl)propanoateDTXSID40373487RefChem:343509DTXCID80324519ethyl 3-(4-biphenyl)-3-oxopropanoateEthyl 3-([1,1'-biphenyl]-4-yl)-3-oxopropanoateMFCD034248033-Biphenyl-4-yl-3-oxopropionic acid ethyl ester3-oxo-3-(4-phenylphenyl)propanoic acid ethyl esterb-Oxo-biphenyl-4-propanoic acid ethyl ester3-biphenyl-4-yl-3-oxo-propionic acid ethyl ester
Show more names
ETHYL (4-PHENYLBENZOYL)ACETATEEthyl β-oxo[1,1'-biphenyl]-4-propanoateethyl 3-(biphenyl-4-yl)-3-oxopropanoateEETHYL 3-(BIPHENYL-4-YL)-3-OXOPROPANOATE[1,1'-Biphenyl]-4-propanoic acid, β-oxo-, ethyl ester
AC-7797SCHEMBL4270804TQP1123MJCRLYUYIXGGAX-UHFFFAOYSA-NAKOS009260132Ethyl 3-biphenyl-4-yl-3-oxopropionateCS-0319806beta-Oxo-biphenyl-4-propanoic acid ethyl ester
Database identifiers
- CAS
57477-98-2- PubChem CID
- 2756708
- DTXSID
DTXSID40373487- EC Number
- 673-412-7
- Nikkaji
- J3.327.278B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 99 · 99-102 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 391.8 · 391.8±17.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.85 · 9.85±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海渤腾医药科技有限公司(86) 21 51969655
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
2 records
Compound notes
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