≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application：
3-Methyloctane is a volatile organic compounds in breath as markers of human lung cancer.
| Pubchem Sid | 488182273 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182273 |
| Canonical Smiles | CCCCCC(C)CC |
| IUPAC Name | 3-methyloctane |
| InChIKey | SEEOMASXHIJCDV-UHFFFAOYSA-N |
| INCHI | 1S/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3 |
| Isomeric SMILES | CCCCCC(C)CC |
| Molecular Weight | 128.26 |
| Reaxy-Rn | 1730900 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730900&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →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 | Hydrocarbons |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2315594 | Certificate of Analysis | Mar 07, 2023 | M158522 |
| D2315597 | Certificate of Analysis | Mar 07, 2023 | M158522 |
| D2315605 | Certificate of Analysis | Mar 07, 2023 | M158522 |
| D2315617 | Certificate of Analysis | Mar 07, 2023 | M158522 |
| Solubility | Soluble in Ether,Benzene,Acetone；Chloroform (Sparingly), DMSO (Slightly) |
|---|---|
| Refractive Index | 1.4 |
| Flash Point(°F) | 32°C(lit.) |
| Flash Point(°C) | 32°C(lit.) |
| Boil Point(°C) | 144°C |
| Molecular Weight | 128.250 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 5 |
| Exact Mass | 128.157 Da |
| Monoisotopic Mass | 128.157 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 48.000 |
| 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 |
