| Pack Size | Qty | Lead Time | Price | Quantity |
Lot Number
CAS #
*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
| IUPAC name | 2,2,4-trimethylpentane |
| canonical smiles | CC(C)CC(C)(C)C |
| inchi | InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 |
| inchi key | NHTMVDHEPJAVLT-UHFFFAOYSA-N |
| molecular formula | C8H18 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 114.23 g/mol |
| XLogP3: | 3.8 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptor Count: | 0 |
| Rotatable Bond Count: | 2 |
| Exact Mass: | 114.140850574 g/mol |
| Monoisotopic Mass: | 114.140850574 g/mol |
| Topological Polar Surface Area: | 0 Ų |
| Heavy Atom Count: | 8 |
| Formal Charge: | 0 |
| Complexity: | 54.9 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| hazard signal | Danger |
| hazard classes and categories | |
| precautionary statement codes | P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 |
| hazard statements | |
| hazards summary | 2,2,4-Trimethylpentane is released to the environment through the manufacture, use, and disposal of products associated with the petroleum and gasoline industry. During an accident, 2,2,4-trimethylpentane penetrated the skin of a human which caused necrosis of the skin and tissue in the hand and required surgery. No other information is available on the acute (short-term) effects in humans. Irritation of the lungs, edema, and hemorrhage have been reported in rodents acutely exposed by inhalation and injection. No information is available on the chronic (long-term), reproductive, developmental, or carcinogenic effects of 2,2,4-trimethylpentane in humans. Kidney and liver effects have been observed in rats chronically exposed via gavage (experimentally placing the chemical in the stomach) and inhalation. EPA has not classified 2,2,4-trimethylpentane with respect to potential carcinogenicity.A skin, eye, and respiratory tract irritant. May cause kidney and liver injury. Inhalation of high concentrations can cause CNS depression. An irritant. In high-dose animal studies, causes liver and kidney injury. See Octane. |
