HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 2756708Generated: October 29, 2026

Ethyl 3-oxo-3-(4-phenylphenyl)propanoate

ETHYL (4-PHENYLBENZOYL)ACETATE · ETHYL 3-(4-BIPHENYL)-3-OXOPROPANOATE · Ethyl β-oxo[1,1'-biphenyl]-4-propanoate · ethyl 3-(biphenyl-4-yl)-3-oxopropanoate · EETHYL 3-(BIPHENYL-4-YL)-3-OXOPROPANOATE · b-Oxo-biphenyl-4-propanoic acid ethyl ester · 3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER · 3-oxo-3-(4-phenylphenyl)propanoic acid ethyl ester

https://huagongshe.com/en/chemical/2756708

Ethyl 3-oxo-3-(4-phenylphenyl)propanoate molecular structure

Identifiers & Physical Properties

CAS No.	57477-98-2
Molecular formula	C17H16O3
Average molar mass	268.31 g/mol
Monoisotopic mass	268.10994437 g/mol
SMILES	CCOC(=O)CC(=O)c1ccc(-c2ccccc2)cc1
InChIKey	MJCRLYUYIXGGAX-UHFFFAOYSA-N
PubChem CID	2756708
EC No.	673-412-7
DTXSID	DTXSID40373487

Chemical & Physical Properties

XLogP	3.5
Topological polar surface area	43.4
Hydrogen bond donors	0
Hydrogen bond acceptors	3
Rotatable bonds	6
Heavy atoms	20
Formal charge	0
Complexity	323
Melting point	99-102 °C(Solv: ligroine (8032-32-4))
Boiling point	391.8±17.0 °C(Predicted)
Density	1.121±0.06 g/cm3(Predicted)
Storage conditions	Store at Room Tem.
pKa (acidity coefficient)	9.85±0.25(Predicted)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H319-H335-H315
GHS precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & Regulations

GHS classification	WarningH315 (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 Classes and Categories	Skin Irrit. 2 (100%)
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H319-H335-H315
GHS precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Ethyl 3-oxo-3-(4-phenylphenyl)propanoate

CAS No.

57477-98-2

Molecular formula

C17H16O3

Average molar mass

268.31 g/mol

Monoisotopic mass

268.10994437 g/mol

SMILES

CCOC(=O)CC(=O)c1ccc(-c2ccccc2)cc1

InChIKey

MJCRLYUYIXGGAX-UHFFFAOYSA-N

PubChem CID

2756708

EC No.

673-412-7

DTXSID

DTXSID40373487

Chemical & Physical Properties

XLogP

3.5

Topological polar surface area

43.4

Hydrogen bond donors

Hydrogen bond acceptors

Rotatable bonds

Heavy atoms

Formal charge

Complexity

323

Melting point

99-102 °C(Solv: ligroine (8032-32-4))

Boiling point

391.8±17.0 °C(Predicted)

Density

1.121±0.06 g/cm3(Predicted)

Storage conditions

Store at Room Tem.

pKa (acidity coefficient)

9.85±0.25(Predicted)

GHS pictogram

GHS07

Signal word

Warning

GHS hazard statements

H319-H335-H315

GHS precautionary statements

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & Regulations

GHS classification

WarningH315 (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 Classes and Categories

Skin Irrit. 2 (100%)