Benzylmalonic acid

Product Information

Molecular Formula:
C10H10O4
Molecular Weight:
194.18
Description
Applications: Used in cosmetic compositions.
Synonyms
2-benzylpropanedioic acid
IUPAC Name
2-benzylpropanedioic acid
Canonical SMILES
C1=CC=C(C=C1)CC(C(=O)O)C(=O)O
InChI
InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
InChI Key
JAEJSNFTJMYIEF-UHFFFAOYSA-N
Boiling Point
378.4 ℃ at 760 mmHg
Melting Point
118-122 ℃
Purity
95 %
Density
1.34 g/cm3
Appearance
Colourless to white crystals or crystalline powder
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
1.5430 (estimate)
LogP
1.01450

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
1.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
194.05790880 g/mol
Monoisotopic Mass
194.05790880 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
204
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-112958159-A Catalyst for preparing 2-acetylfuran and preparation method thereof 2021-03-01
JP-2021059117-A Primer composition and aqueous solution using it, base film with primer layer and prism sheet 2021-01-04
JP-2022039427-A Phase difference film, laminated retardation film, polarizing plate with retardation layer and image display device 2020-08-28
WO-2022044415-A1 Retardation film, laminated retardation film, retardation-layer-equipped polarizing plate, and image display device 2020-08-28
US-2022055378-A1 Inkjet ink and inkjet textile printing method 2020-08-18
JP-2022025941-A A polyester film for protecting a splitter and a polarizing plate containing the polyester film. 2020-07-30
JP-2022025942-A A polyester film for protecting a splitter and a polarizing plate containing the polyester film. 2020-07-30
JP-2022025943-A A polyester film for protecting a splitter and a polarizing plate containing the polyester film. 2020-07-30
WO-2022024492-A1 Polyester film for polarizer protection and polarizing plate comprising said polyester film 2020-07-30
WO-2022024493-A1 Polyester film for protecting polarizer and polarizing plate including said polyester film 2020-07-30

Literatures

PMID Publication Date Title Journal
22016636 2011-01-01 Molecularly imprinted polymers: present and future prospective International journal of molecular sciences
20199051 2010-04-05 Impact of the carbon chain length of novel palladium(II) complexes on interaction with DNA and cytotoxic activity Inorganic chemistry
17924364 2007-11-01 Synthesis, characterization and cytotoxicity of diam(m)-ineplatinum(II) complexes containing beta-phenylisosuccinate ligand Archiv der Pharmazie
15848404 2005-06-01 Passivation of the calcite surface with phenylmalonate and benzylmalonate ions Journal of colloid and interface science
12852963 2003-08-04 Novel coumarin derivatives of heterocyclic compounds as lipid-lowering agents Bioorganic & medicinal chemistry letters
12495333 2002-12-30 Intramolecular 'Aryl-metal chelate ring' pi,pi-interactions as structural evidence for metalloaromaticity in (aromatic alpha,alpha'-diimine)-copper(II) chelates: molecular and crystal structure of aqua(1,10-phenanthroline)(2-benzylmalonato)copper(II) three-hydrate Inorganic chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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