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trans-2-Methyl-2-pentenal - >97.0%(GC), high purity , CAS No.14250-96-5
Basic Description
Synonyms
DTXSID8021646 | trans-2-Methyl-2-pentenal | (2E)-2-Methyl-2-pentenal | 2-METHYL-2-PENTENAL | EN300-381207 | A833721 | CS-0359335 | UNII-98QAG1U530 | (2E)-2-methylpent-2-enal | 2-Pentenal, 2-methyl-, (2E)- | 2-Methyl-2-pentene-1-al | Hydroxyl, ion | DTXSID
Specifications & Purity
≥97%(GC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated aldehydes
Direct Parent
Enals
Alternative Parents
Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic acyclic compounds
Substituents
Enal - Organic oxide - Hydrocarbon derivative - Aldehyde - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple 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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(E)-2-methylpent-2-enal
INCHI
InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+
InChIKey
IDEYZABHVQLHAF-GQCTYLIASA-N
Smiles
CCC=C(C)C=O
Isomeric SMILES
CC/C=C(\C)/C=O
Molecular Weight
98.15
Beilstein
1(4)3471
Reaxy-Rn
1738018
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738018&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water
Sensitivity
Air Sensitive
Refractive Index
1.45
Boil Point(°C)
138°C(lit.)
Molecular Weight
98.140 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
98.0732 Da
Monoisotopic Mass
98.0732 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
82.200
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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H2407229