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
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 °C at 760 mmHg
Melting Point
118-122 °C
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 |
