≥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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
2-Ethyltoluene, is used to predict novel lead compounds for drug discovery that depends on the quality of the docking scoring function.
| Pubchem Sid | 488181470 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181470 |
| Canonical Smiles | CCC1=CC=CC=C1C |
| IUPAC Name | 1-ethyl-2-methylbenzene |
| InChIKey | HYFLWBNQFMXCPA-UHFFFAOYSA-N |
| INCHI | 1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3 |
| Isomeric SMILES | CCC1=CC=CC=C1C |
| WGK Germany | 3 |
| RTECS | XT2500000 |
| UN Number | 3295 |
| Packing Group | I |
| Molecular Weight | 120.19 |
| Beilstein | 1851237 |
| Reaxy-Rn | 1851237 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1851237&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group. |
| External Descriptors | toluenes |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2511517 | Certificate of Analysis | Sep 01, 2025 | E140581 |
| I2511516 | Certificate of Analysis | Sep 01, 2025 | E140581 |
| I2511347 | Certificate of Analysis | Sep 01, 2025 | E140581 |
| D2627096 | Certificate of Analysis | Sep 01, 2025 | E140581 |
| A2111343 | Certificate of Analysis | Oct 12, 2024 | E140581 |
| G2403537 | Certificate of Analysis | Jun 14, 2024 | E140581 |
| G2403536 | Certificate of Analysis | Jun 14, 2024 | E140581 |
| G23121080 | Certificate of Analysis | Jun 05, 2023 | E140581 |
| G23121096 | Certificate of Analysis | Jun 05, 2023 | E140581 |
| G2312878 | Certificate of Analysis | Jun 05, 2023 | E140581 |
| G2312885 | Certificate of Analysis | Jun 05, 2023 | E140581 |
| G2312905 | Certificate of Analysis | Jun 05, 2023 | E140581 |
| G2312952 | Certificate of Analysis | Jun 05, 2023 | E140581 |
| L2216898 | Certificate of Analysis | Dec 23, 2022 | E140581 |
| E2310073 | Certificate of Analysis | Dec 29, 2021 | E140581 |
| D2312076 | Certificate of Analysis | Dec 29, 2021 | E140581 |
| D2312075 | Certificate of Analysis | Dec 29, 2021 | E140581 |
| A2220488 | Certificate of Analysis | Dec 29, 2021 | E140581 |
| A2220486 | Certificate of Analysis | Dec 29, 2021 | E140581 |
| A2220423 | Certificate of Analysis | Dec 29, 2021 | E140581 |
| Solubility | Soluble in water (74.6 mg/L (25°C)). |
|---|---|
| Refractive Index | 1.504 |
| Flash Point(°F) | 127.4 °F |
| Flash Point(°C) | 53 °C |
| Boil Point(°C) | 166°C |
| Melt Point(°C) | -17°C |
| Molecular Weight | 120.190 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 120.094 Da |
| Monoisotopic Mass | 120.094 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 76.100 |
| 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. Yufen Wang, Yantao Wang, Yongqing Ma, Asma Mohmmad Elsharif, Chen Zhang, Weiran Yang, Christophe Len. (2024) A transition-metal-free catalytic reduction of benzylic alcohols and alkenes and N-formylation of nitroarenes mediated by iodide ions and formic acid. NEW JOURNAL OF CHEMISTRY, [PMID:] [10.1039/D4NJ03772C] |
| 2. Jinhua Xu, Minghui Tang, Jinyu Zhang, Wenmin Zhang, Shiye Xie, Lan Zhang. (2025) Green and Controlled Synthesis of Copper-Based Tryptophan Flower-like Chiral Metal-Organic Framework for Enantioselective Recognition and Volatile Organic Compound Separation. JOURNAL OF CHROMATOGRAPHY A, [PMID:40339186] [10.1016/j.chroma.2025.466020] |
