Dimethylmalonic acid - CAS 595-46-0

Catalog:	BB030415
Product Name:	Dimethylmalonic acid
CAS:	595-46-0
Synonyms:	2,2-dimethylpropanedioic acid

Technical Data

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Computed Properties

IUPAC Name:	2,2-dimethylpropanedioic acid
Description:	Dimethylmalonic acid (CAS# 595-46-0) is a useful research chemical.
Molecular Weight:	132.11
Molecular Formula:	C5H8O4
Canonical SMILES:	CC(C)(C(=O)O)C(=O)O
InChI:	InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
InChI Key:	OREAFAJWWJHCOT-UHFFFAOYSA-N
Boiling Point:	310.2 °C at 760 mmHg
Melting Point:	192 °C
Density:	1.316 g/cm³
Solubility:	90 mg/mL at 13 °C
Appearance:	White crystalline solid
MDL:	MFCD00004193
LogP:	0.18180
Vapor Pressure:	0.0014 [mmHg]

Publication Number	Title	Priority Date
US-2016181660-A1	Nonaqueous electrolyte compositions comprising lithium malonatoborate and fluorinated solvent	20141217
EP-2960298-A1	Actinic radiation and moisture dual curable composition	20140626
US-2015376476-A1	Actinic radiation and moisture dual curable composition	20140626
EP-2960319-A2	Hydrocarbyl soluble quaternary ammonium carboxylates and fuel compositions containing them	20140625
US-2015357204-A1	Quaternary ammonium salt compound, composition for forming a resist under layer film, and patterning process	20140604

PMID	Publication Date	Title	Journal
22528041	20120529	Synthesis of PCP-supported nickel complexes and their reactivity with carbon dioxide	Chemistry (Weinheim an der Bergstrasse, Germany)
21557357	20110523	Chiral ionic liquid/ESI-MS methodology as an efficient tool for the study of transformations of supported organocatalysts: deactivation pathways of Jørgensen-Hayashi-type catalysts in asymmetric Michael reactions	Chemistry (Weinheim an der Bergstrasse, Germany)
21123882	20101201	Poly[[aqua-μ(3)-2,2-dimethylmalonato-copper(II)] monohydrate] and poly[aqua-μ(3)-2,2-dimethylmalonato-copper(II)]	Acta crystallographica. Section C, Crystal structure communications
20603552	20100701	Poly[diaquabis(mu3-2,2-dimethylpropanedioato)calcium(II)copper(II)]	Acta crystallographica. Section C, Crystal structure communications
19578260	20090701	Poly[[diaqua(mu3-2,2-dimethylmalonato)cadmium(II)] tetrahydrate]	Acta crystallographica. Section C, Crystal structure communications

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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

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.04225873
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	132.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4