≥99%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752921 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752921 |
| 정식 스마일 | CC(C)CCC(C)(C)C |
| IUPAC Name | 2,2,5-trimethylhexane |
| InChIKey | HHOSMYBYIHNXNO-UHFFFAOYSA-N |
| INCHI | 1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3 |
| 이성체 SMILES | CC(C)CCC(C)(C)C |
| RTECS | MO4630000 |
| PubChem CID | 19041 |
| UN 번호 | 1920 |
| 포장 그룹 | III |
| 분자량 | 128.26 |
| Beilstein | 1(4)460 |
| Reaxy-Rn | 1730924 |
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 |
| 분류 | 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 |
| 설명 | 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 |
| 굴절률 | 1.40 |
|---|---|
| 발화점(°C) | 13°C(lit.) |
| 끓는점(°C) | 122°C |
| 분자량 | 128.250 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| 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 | 64.599 |
| 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 |
| 1. Wenna Liu, Wanglu Jia, Qiang Wang, Jian Chen, Jinbu Li, Ping’an Peng. (2024) Influencing factors of hydrogen isotopic fractionation of light hydrocarbons during evaporation and implications. ORGANIC GEOCHEMISTRY, [PMID:] [10.1016/j.orggeochem.2024.104894] |
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