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2-Methyl-2-pentenoic acid - 10mM in DMSO, high purity , CAS No.16957-70-3
Basic Description
Synonyms
2-METHYL-2-PENTENOIC ACID | 16957-70-3 | trans-2-Methyl-2-pentenoic acid | (E)-2-methylpent-2-enoic acid | 3142-72-1 | (E)-2-methyl-2-pentenoic acid | (S)-2-Methylpentenoic acid | FEMA No. 3195 | 2-Pentenoic acid, 2-methyl-, (E)- | 2-Pentenoic acid, 2-methyl-, (2E)- | 2-Meth
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Branched fatty acids
Direct Parent
Methyl-branched fatty acids
Alternative Parents
Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Methyl-branched fatty acid - Unsaturated fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - 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 methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
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.
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-enoic acid
INCHI
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKey
JJYWRQLLQAKNAD-SNAWJCMRSA-N
Smiles
CCC=C(C)C(=O)O
Isomeric SMILES
CC/C=C(\C)/C(=O)O
WGK Germany
2
UN Number
3261
Molecular Weight
114.14
Reaxy-Rn
1741606
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741606&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.46
Flash Point(°F)
226.4 °F
Flash Point(°C)
108 °C
Boil Point(°C)
123-125°C
Melt Point(°C)
26-28°C
Molecular Weight
114.140 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
114.068 Da
Monoisotopic Mass
114.068 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
114.000
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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