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sec-Butyl methacrylate - Reagent Grade, high purity , CAS No.2998-18-7
Basic Description
Synonyms
b-butyl methacrylate | NSC 32630 | Q27256668 | B5371 | sec-Butyl methacrylate, AldrichCPR | 2-Propenoic acid, 2-methyl-, 1-methylpropyl ester | b-n-butyl methacrylate | SEC-BUTYL METHACRYLATE [INCI] | sec-Butyl methacrylate | MFCD00048637 | FT-0695269 | 3
Specifications & Purity
Reagent grade
Grade
Reagent Grade
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
Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Enoate 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
butan-2-yl 2-methylprop-2-enoate
INCHI
InChI=1S/C8H14O2/c1-5-7(4)10-8(9)6(2)3/h7H,2,5H2,1,3-4H3
InChIKey
VXTQKJXIZHSXBY-UHFFFAOYSA-N
Smiles
CCC(C)OC(=O)C(=C)C
Isomeric SMILES
CCC(C)OC(=O)C(=C)C
WGK Germany
3
PubChem CID
97732
Molecular Weight
142.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
111.2 °F
Flash Point(°C)
44 °C
Molecular Weight
142.200 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
142.099 Da
Monoisotopic Mass
142.099 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
138.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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