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| Synonyms | DTXSID8052647 | CHEBI:88373 | Diethylmethylmethane | MFCD00009342 | NSC 66497 | Q223107 | 3-METHYLPENTANE | 3-Methyl-pentane | NSC66497 | NSC-66497 | Pentane, 3-methyl- | EINECS 202-481-4 | 3-Methylpentane, >=99% | InChI=1/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3 |
|---|---|
| Specifications & Purity | ≥99% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Hydrocarbons |
| Class | Saturated hydrocarbons |
| Subclass | Alkanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Branched alkanes |
| Alternative Parents | Not available |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Branched alkane - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Pubchem Sid | 488180369 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180369 |
| IUPAC Name | 3-methylpentane |
| INCHI | InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 |
| InChIKey | PFEOZHBOMNWTJB-UHFFFAOYSA-N |
| Smiles | CCC(C)CC |
| Isomeric SMILES | CCC(C)CC |
| WGK Germany | 2 |
| RTECS | SA2995500 |
| UN Number | 1208 |
| Molecular Weight | 86.18 |
| Beilstein | 1730734 |
| Reaxy-Rn | 1730734 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730734&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 10, 2025 | M109052 | |
| Certificate of Analysis | May 10, 2025 | M109052 | |
| Certificate of Analysis | May 10, 2025 | M109052 | |
| Certificate of Analysis | May 10, 2025 | M109052 | |
| Certificate of Analysis | May 10, 2025 | M109052 | |
| Certificate of Analysis | May 10, 2025 | M109052 | |
| Certificate of Analysis | Apr 03, 2025 | M109052 | |
| Certificate of Analysis | Dec 20, 2024 | M109052 | |
| Certificate of Analysis | Dec 20, 2024 | M109052 | |
| Certificate of Analysis | Aug 16, 2024 | M109052 | |
| Certificate of Analysis | Aug 16, 2023 | M109052 | |
| Certificate of Analysis | Aug 16, 2023 | M109052 | |
| Certificate of Analysis | Aug 02, 2023 | M109052 | |
| Certificate of Analysis | Jul 18, 2023 | M109052 | |
| Certificate of Analysis | Jul 18, 2023 | M109052 | |
| Certificate of Analysis | Jul 18, 2023 | M109052 | |
| Certificate of Analysis | Jul 18, 2023 | M109052 | |
| Certificate of Analysis | Jul 18, 2023 | M109052 | |
| Certificate of Analysis | Jul 18, 2023 | M109052 | |
| Certificate of Analysis | Dec 01, 2022 | M109052 | |
| Certificate of Analysis | Dec 01, 2022 | M109052 | |
| Certificate of Analysis | Dec 01, 2022 | M109052 | |
| Certificate of Analysis | Dec 01, 2022 | M109052 | |
| Certificate of Analysis | Nov 22, 2022 | M109052 | |
| Certificate of Analysis | Nov 22, 2022 | M109052 | |
| Certificate of Analysis | Nov 22, 2022 | M109052 | |
| Certificate of Analysis | Nov 22, 2022 | M109052 | |
| Certificate of Analysis | Nov 22, 2022 | M109052 | |
| Certificate of Analysis | Jan 11, 2022 | M109052 | |
| Certificate of Analysis | Jan 11, 2022 | M109052 |
| Solubility | Soluble in water. 0.013 g/L at 20°C). Miscible in ether, acetone. Soluble in ethanol. |
|---|---|
| Refractive Index | 1.376 |
| Flash Point(°F) | 19.4 °F |
| Flash Point(°C) | -6°C |
| Boil Point(°C) | 64 °C |
| Melt Point(°C) | -118°C |
| Molecular Weight | 86.180 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 86.1096 Da |
| Monoisotopic Mass | 86.1096 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 19.200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| 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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