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Methyl methacrylate-d₅ - ≥98 atom% D, ≥99% (CP), contains hydroquinone as stabilizer, high purity , CAS No.55935-46-1
Basic Description
Synonyms
Methyl 2-(~2~H_3_)methyl(~2~H_2_)prop-2-enoate | methyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate | SCHEMBL1332425 | D99594 | Methyl methacrylate-d5 | Methyl methacrylate-d5, >=98 atom % D, >=99% (CP), contains hydroquinone as stabilizer | methyl
Specifications & Purity
≥98 atom% D,≥99%, stabilized with hydroquinone
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
Direct Parent
Enoate esters
Alternative Parents
Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Enoate ester - Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
methyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate
INCHI
InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i1D2,2D3
InChIKey
VVQNEPGJFQJSBK-KPAILUHGSA-N
Smiles
CC(=C)C(=O)OC
Isomeric SMILES
[2H]C(=C(C(=O)OC)C([2H])([2H])[2H])[2H]
UN Number
1247
Molecular Weight
105.15
Reaxy-Rn
605459
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605459&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20/D 1.413 (lit.)
Flash Point(°F)
50.0 °F - closed cup
Flash Point(°C)
10 °C - closed cup
Boil Point(°C)
100℃ (lit.)
Melt Point(°C)
−48℃ (lit.)
Molecular Weight
105.150 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
105.084 Da
Monoisotopic Mass
105.084 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
94.300
Isotope Atom Count
5
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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