Benzylmalonic acid - CAS 616-75-1
Catalog: |
BB031219 |
Product Name: |
Benzylmalonic acid |
CAS: |
616-75-1 |
Synonyms: |
2-benzylpropanedioic acid |
IUPAC Name: | 2-benzylpropanedioic acid |
Description: | Applications: Used in cosmetic compositions. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
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 °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. |
MDL: | MFCD00004261 |
LogP: | 1.01450 |
Refractive Index: | 1.5430 (estimate) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
CN-112958159-A | Catalyst for preparing 2-acetylfuran and preparation method thereof | 20210301 |
JP-2021157068-A | Polyester film and polarizing plate containing the polyester film | 20200327 |
JP-2021134294-A | Adhesive Compositions, Adhesives and Adhesive Sheets | 20200227 |
JP-2021134354-A | Polyester Adhesive Compositions, Polyester Adhesives and Adhesive Sheets | 20200227 |
WO-2021162056-A1 | Adhesive composition, adhesive, adhesive sheet, and double-sided adhesive sheet | 20200213 |
PMID | Publication Date | Title | Journal |
22016636 | 20110101 | Molecularly imprinted polymers: present and future prospective | International journal of molecular sciences |
20199051 | 20100405 | Impact of the carbon chain length of novel palladium(II) complexes on interaction with DNA and cytotoxic activity | Inorganic chemistry |
17924364 | 20071101 | Synthesis, characterization and cytotoxicity of diam(m)-ineplatinum(II) complexes containing beta-phenylisosuccinate ligand | Archiv der Pharmazie |
15848404 | 20050601 | Passivation of the calcite surface with phenylmalonate and benzylmalonate ions | Journal of colloid and interface science |
12852963 | 20030804 | Novel coumarin derivatives of heterocyclic compounds as lipid-lowering agents | Bioorganic & medicinal chemistry letters |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05790880 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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