Ethyl benzoylacetate - CAS 94-02-0

Name: Ethyl benzoylacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	ethyl 3-oxo-3-phenylpropanoate
Description:	Ethyl benzoylacetate (CAS# 94-02-0) is a useful research chemical.
Molecular Weight:	192.21
Molecular Formula:	C11H12O3
Canonical SMILES:	CCOC(=O)CC(=O)C1=CC=CC=C1
InChI:	InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:	GKKZMYDNDDMXSE-UHFFFAOYSA-N
Boiling Point:	265-270 °C
Melting Point:	< 0°C
Flash Point:	140°C
Purity:	BP 130-133deg/5 mm
Density:	1.106 g/cm³
Appearance:	Brownish liquid
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store protected from light. Store under an inert atmosphere.
MDL:	MFCD00009196
LogP:	1.82250
Refractive Index:	1.524-1.531
Stability:	Substance may undergo color change upon exposure to light and air. Volatile in steam.

Publication Number	Title	Priority Date
CN-113416166-A	Method for preparing 4-hydroxyquinoline-2 (1H) -ketone compound	20210623
CN-113324736-A	Refractive index matching fluid and optical detection method of glass	20210527
CN-113200855-A	Preparation method of ethyl benzoylacetate	20210513
CN-113200850-A	Preparation method of alpha-acyloxyketone compound	20210508
CN-113087880-A	Polyester and preparation method thereof	20210401

PMID	Publication Date	Title	Journal
23018926	20120927	3-Amino-8-hydroxy-4-imino-6-methyl-5-phenyl-4,5-dihydro-3H-chromeno [2,3-d]pyrimidine: an effecient key precursor for novel synthesis of some interesting triazines and triazepines as potential anti-tumor agents	Molecules (Basel, Switzerland)
22728358	20120531	Reaction of iodonium ylides of 1,3-dicarbonyl compounds with HF reagents	Molecules (Basel, Switzerland)
22347100	20120201	Ethyl (2R,3S)-2-benzoyl-3-(4-bromo-phen-yl)-4-nitro-butano-ate	Acta crystallographica. Section E, Structure reports online
22649326	20120101	Eutectic salt catalyzed environmentally benign and highly efficient Biginelli reaction	TheScientificWorldJournal
21999524	20111107	Synthesis and structural characterization of some new porphyrin-fullerene dyads and their application in photoinduced H2 evolution	Inorganic chemistry

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.078644241
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.078644241
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9