Basic Description

Synonyms	EINECS 220-733-1 \| (4-Methoxybenzoyl)acetic Acid Ethyl Ester \| 4-methoxybenzoylacetic acid ethylester \| ethyl 3-oxo-3-(4-methoxyphenyl)propanoate \| Furan, (methoxymethyl)- \| AB2847 \| Ethyl p-anisoylacetate \| F0001-0903 \| Acetic acid, p-anisoyl-, ethyl est
Specifications & Purity	≥97%(GC), mixture of isomers
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Fatty acid esters Beta-keto acids and derivatives Alkyl aryl ethers 1,3-dicarbonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488185217
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185217
IUPAC Name	ethyl 3-(4-methoxyphenyl)-3-oxopropanoate
INCHI	InChI=1S/C12H14O4/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey	KRAHENMBSVAAHD-UHFFFAOYSA-N
Smiles	CCOC(=O)CC(=O)C1=CC=C(C=C1)OC
Isomeric SMILES	CCOC(=O)CC(=O)C1=CC=C(C=C1)OC
Molecular Weight	222.24
Beilstein	10(4)3627
Reaxy-Rn	979481
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=979481&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
B1919057	Certificate of Analysis	Dec 07, 2022	E156046
B1919054	Certificate of Analysis	Dec 06, 2022	E156046
J2129802	Certificate of Analysis	Nov 02, 2021	E156046
G2308233	Certificate of Analysis	Nov 02, 2021	E156046

Chemical and Physical Properties

Solubility	Solubility in water: Practically Insoluble; Degree of Solubility in water: 1.7 g/l 20 °C
Refractive Index	1.54
Flash Point(°F)	115°C(lit.)
Flash Point(°C)	115°C(lit.)
Boil Point(°C)	170 °C/14 mmHg
Molecular Weight	222.240 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	222.089 Da
Monoisotopic Mass	222.089 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	241.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xinyue Guo, Qiyue Zhou, Xuefeng Fan, Qinyan Zhu, Ming Jin. (2024) Heteroatom/Heterocycle-Substituted Ketone Dyes as Efficient Photoinitiators in Visible Light-Emitting Diode/Near Infrared Light Photopolymerization with Enhanced Two-Photon Lithography Capability. ACS Applied Polymer Materials, 6 (9): (5566-5575).

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SKU	Size	Availability	Price
E156046-1g	1g	3	$9.90
E156046-5g	5g	3	$26.90
E156046-25g	25g	3	$120.90
E156046-100g	100g	1	$434.90

Ethyl (4-Methoxybenzoyl)acetate - >97.0%(GC)(total of isomers), high purity , CAS No.2881-83-6