Name: Name:Ethyl 2-benzylacetoacetate
Brand: AABLOCKS
SKU: AA003Q0Q
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003Q0Q

Chemical Name: Ethyl 2-benzylacetoacetate

CAS Number: 620-79-1

Molecular Formula: C13H16O3

Molecular Weight: 220.2643

MDL Number: MFCD08436113

SMILES: CCOC(=O)C(C(=O)C)Cc1ccccc1

NSC Number: 60581

FEMA Number: 2416

Properties

BP: 276°C at 760 mmHg

Form: Liquid

Refractive Index: n20/D 1.5(lit.)

Solubility: Difficult in mix.

Storage: Keep in dry area;Room Temperature;

Complexity: 242

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: 2.5

Literature fold

Title: Ethyl 4-acetamido-3-acet-oxy-2-benzyl-3-methyl-butano-ate.

Journal: Acta crystallographica. Section E, Structure reports online20111201

Title: Triethyl-ammonium [2-eth-oxy-carbonyl-2-(2-methyl-benz-yl)-6,9-dinitro-3-oxo-bicyclo-[3.3.1]non-6-en-8-yl-idene]azinate.

Journal: Acta crystallographica. Section E, Structure reports online20110601

620-79-1 | Ethyl 2-benzylacetoacetate