| 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 | propylbenzene |
| canonical smiles | CCCC1=CC=CC=C1 |
| inchi | InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 |
| inchi key | ODLMAHJVESYWTB-UHFFFAOYSA-N |
| molecular formula | C9H12 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 120.19 g/mol |
| XLogP3: | 3.7 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptor Count: | 0 |
| Rotatable Bond Count: | 2 |
| Exact Mass: | 120.093900383 g/mol |
| Monoisotopic Mass: | 120.093900383 g/mol |
| Topological Polar Surface Area: | 0 Ų |
| Heavy Atom Count: | 9 |
| Formal Charge: | 0 |
| Complexity: | 60.4 |
| 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, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P319, P331, P370+P378, P391, P403+P233, P403+P235, P405, and P501 |
| hazard statements | |
| hazards summary | In animal studies, it acts as a CNS depressant and general anesthetic. If left on clothes, can cause reddening of skin. The major hazards encountered in the use and handling of n-propylbenzene stem from its toxicologic properties and flammability. Toxic by all routes (ie, inhalation, ingestion, dermal contact), exposure to this colorless liquid may occur from its use in textile dyeing and printing, as a solvent for cellulose acetate, and in the manufacture of methylstyrene. Effects from exposure may include burns to the skin and eyes, nausea, headache, dizziness, central nervous system depression, and unconsciousness. In activities and situations where over-exposure may occur, wear a positive pressure self-contained breathing apparatus and protective clothing. If contact should occur, immediately irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. Contaminated clothing should be removed and left at the site. This substance is flammable and may be ignited by heat, sparks, or flames. Its heavier-than-air vapor may travel to a source of ignition and flash back, or accumulate to explosive concentrations in enclosed spaces, such as sewers. Also, containers of n-propylbenzene may explode in the heat of a fire. For fires involving this substance, extinguish with dry chemical, CO2, water spray, fog, or alcohol-resistant foam. Isolate for 1/2 mile in all directions if tank, rail car or tank truck is involved in the fire. For small spills of n-propylbenzene, take up with sand or other noncombustible absorbent, and place into container for later disposal. Dike far ahead of large spills to contain for later disposal. |
