ChemicalBook--->CAS DataBase List--->595-46-0

595-46-0

595-46-0 Structure

595-46-0 Structure
IdentificationMore
[Name]

Dimethylmalonic acid
[CAS]

595-46-0
[Synonyms]

2,2-DIMETHYLMALONIC ACID
2,2-DIMETHYLPROPANEDIOIC ACID
DIMETHYLMALONIC ACID
DIMETHYL-PROPANEDIOIC ACID
RARECHEM AL BO 1448
dimethyl-propanedioicaci
Dimethylmalonic
Propanedioic acid, dimethyl-
2,2-Propanedicarboxylic acid
[EINECS(EC#)]

209-867-1
[Molecular Formula]

C5H8O4
[MDL Number]

MFCD00004193
[Molecular Weight]

132.11
[MOL File]

595-46-0.mol
Chemical PropertiesBack Directory
[Melting point ]

191-193 °C (lit.)
[Boiling point ]

292.77°C (rough estimate)
[density ]

1.5633 (rough estimate)
[refractive index ]

1.4016 (estimate)
[storage temp. ]

2-8°C
[solubility ]

soluble in Methanol
[form ]

neat
[pka]

3.15(at 25℃)
[color ]

White to Almost white
[Water Solubility ]

90g/L(13 ºC)
[BRN ]

774375
[InChI]

1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
[InChIKey]

OREAFAJWWJHCOT-UHFFFAOYSA-N
[SMILES]

CC(C)(C(O)=O)C(O)=O
[CAS DataBase Reference]

595-46-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanedioic acid, dimethyl-(595-46-0)
[EPA Substance Registry System]

595-46-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HazardClass ]

IRRITANT
[HS Code ]

29171900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

(S,S)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)-->Dimethylketene-->3-(tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
pharmaceutical
[Definition]

ChEBI: A dicarboxylic acid that is malonic acid in which both methylene hydrogens have been replaced by methyl groups.
[General Description]

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.
[IC 50]

Human Endogenous Metabolite
[storage]

Store at -20°C
[Purification Methods]

Crystallise the acid from *benzene/pet ether. It sublimes in a vacuum with slight decomposition. [Beilstein 2 IV 1955.]
Spectrum DetailBack Directory
[Spectrum Detail]

Dimethylmalonic acid(595-46-0)MS
Dimethylmalonic acid(595-46-0)1HNMR
Dimethylmalonic acid(595-46-0)13CNMR
Dimethylmalonic acid(595-46-0)IR1
Dimethylmalonic acid(595-46-0)IR2
Dimethylmalonic acid(595-46-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

595-46-0(sigmaaldrich)
[TCI AMERICA]

Dimethylmalonic Acid,>95.0%(GC)(595-46-0)
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