≥99% 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180857 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180857 |
| Sorrisi canonici | CCC(C)C1=CC=CC=C1 |
| IUPAC Name | butan-2-ylbenzene |
| InChIKey | ZJMWRROPUADPEA-UHFFFAOYSA-N |
| INCHI | 1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
| Isomeri SMILES | CCC(C)C1=CC=CC=C1 |
| WGK Germania | 2 |
| Peso molecolare | 134.22 |
| Beilstein | 1903902 |
| Reaxy-Rn | 1903902 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903902&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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | alkylbenzene |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
 J2122348 | Certificate of Analysis | Aug 11, 2025 | B100253 |
| J2123011 | Certificate of Analysis | Aug 11, 2025 | B100253 |
| E2516201 | Certificate of Analysis | Mar 18, 2025 | B100253 |
| H2508408 | Certificate of Analysis | Mar 18, 2025 | B100253 |
| A1922140 | Certificate of Analysis | Nov 14, 2022 | B100253 |
| G2229081 | Certificate of Analysis | Jul 04, 2022 | B100253 |
| J2227130 | Certificate of Analysis | Jul 04, 2022 | B100253 |
| C2308970 | Certificate of Analysis | Jun 24, 2021 | B100253 |
| Solubilità | Insoluble in water; Degree of Solubility in water: 17.6 mg/l 25 °C; Miscible with Ether,Alcohol,Benzene |
|---|---|
| Indice di rifrazione | 1.49 |
| Punto di infiammabilità (°C) | 45°C |
| Punto di ebollizione (°C) | 173°C |
| Punto di fusione (°C) | -75°C |
| Peso molecolare | 134.220 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 134.11 Da |
| Monoisotopic Mass | 134.11 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 80.000 |
| 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 |
| 1. Tian-Tian Ma, Cheng Yang, Hai-Long Qian, Piming Ma, Tianxi Liu, Xiu-Ping Yan. (2023) Trifluoromethyl-Functionalized 2D Covalent Organic Framework for High-Resolution Separation of Isomers. ACS Applied Materials & Interfaces, [PMID:37367939] [10.1021/acsami.3c05369] |
| 2. Ziqi Sun, Meiling Qi. (2022) High separation performance of carbon dioxide-based poly(ether-carbonate) copolymer for gas chromatographic analyses. JOURNAL OF CHROMATOGRAPHY A, [PMID:36166885] [10.1016/j.chroma.2022.463493] |
| 3. Yan Zhang, Bowen Mei, Chuangchuang Cao, Xiaoyuan Zhang, Wenhao Yuan, Jiuzhong Yang, Yuyang Li. (2019) Experimental and kinetic modeling investigation on sec-butylbenzene combustion: Flow reactor pyrolysis and laminar flame propagation at various pressures. COMBUSTION AND FLAME, [PMID:] [10.1016/j.combustflame.2019.09.016] |
| 4. Yunzhong Zheng, Meiling Qi, Ruonong Fu. (2016) Graphitic carbon nitride as high-resolution stationary phase for gas chromatographic separations. JOURNAL OF CHROMATOGRAPHY A, [PMID:27266332] [10.1016/j.chroma.2016.05.073] |
| 5. Xueyan Zhang, Hongyun Ji, Xudong Zhang, Zhen Wang, Dan Xiao. (2015) Capillary column coated with graphene quantum dots for gas chromatographic separation of alkanes and aromatic isomers. Analytical Methods, 7 (7): (3229-3237). [PMID:] [10.1039/C4AY03068K] |
