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2-Hydroxybutyl Methacrylate (mixture of isomers) (stabilized with MEHQ) - >97.0%(GC), high purity , CAS No.13159-51-8
Basic Description
Synonyms
MFCD19707078 | 2-Propenoic acid, 2-methyl-, 2-hydroxybutyl ester | 2-HYDROXYBUTYL METHACRYLATE | IEVADDDOVGMCSI-UHFFFAOYSA-N | Q27288548 | SCHEMBL137371 | 1,2-Butanediol, 1-methacrylate | DTXSID90402190 | Light ester hob | 2-hydroxybutylmethacrylate | S3W
Specifications & Purity
≥97%(GC)
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
Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Enoate ester - Secondary alcohol - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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
Pubchem Sid
504762971
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504762971
IUPAC Name
2-hydroxybutyl 2-methylprop-2-enoate
INCHI
InChI=1S/C8H14O3/c1-4-7(9)5-11-8(10)6(2)3/h7,9H,2,4-5H2,1,3H3
InChIKey
IEVADDDOVGMCSI-UHFFFAOYSA-N
Smiles
CCC(COC(=O)C(=C)C)O
Isomeric SMILES
CCC(COC(=O)C(=C)C)O
Alternate CAS
29721-79-7
Molecular Weight
158.20
Reaxy-Rn
11343185
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343185&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
94 °C
Boil Point(°C)
98 °C/4 mmHg
Molecular Weight
158.190 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
158.094 Da
Monoisotopic Mass
158.094 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
151.000
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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I2325563