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Basic Description
| Synonyms | 2-Methyl-4-pentenoic acid | 2-Methylpent-4-enoic acid | 1575-74-2 | 4-Pentenoic acid, 2-methyl- | FEMA No. 3511 | 2-Methylpent-4-en-1-oic acid | 29HK385L3G | MFCD00015570 | 2-METHYL-4-PENTENOICACID | UNII-29HK385L3G | EINECS 216-404-7 | Methylallylacetic acid | 2-methylpent-4-en |
|---|---|
| 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
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty acids and conjugates
- Level5 Branched fatty acids
- Level6 Methyl-branched fatty acids
- Level5 Branched fatty acids
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Subclass
Fatty acids and conjugates
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| 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 |
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Names and Identifiers
| IUPAC Name | 2-methylpent-4-enoic acid |
|---|---|
| INCHI | InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8) |
| InChIKey | HVRZYSHVZOELOH-UHFFFAOYSA-N |
| Smiles | CC(CC=C)C(=O)O |
| Isomeric SMILES | CC(CC=C)C(=O)O |
| WGK Germany | 3 |
| UN Number | 3265 |
| Molecular Weight | 114.14 |
| Reaxy-Rn | 1720987 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720987&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Moisture Sensitive. |
|---|---|
| Refractive Index | 1.43 |
| Flash Point(°F) | 107 °C |
| Flash Point(°C) | 107°C |
| Boil Point(°C) | 195°C |
| Molecular Weight | 114.140 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| 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 | 96.700 |
| 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 |
Solution Calculators
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