≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 18 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181203 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181203 |
| Canonical Smiles | CCCCCC1=CC=CC=C1 |
| IUPAC Name | pentylbenzene |
| InChIKey | PWATWSYOIIXYMA-UHFFFAOYSA-N |
| INCHI | 1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3 |
| Isomeric SMILES | CCCCCC1=CC=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 148.25 |
| Beilstein | 1904360 |
| Reaxy-Rn | 1904359 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904359&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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G1817095 | Certificate of Analysis | Feb 05, 2026 | A151374 |
| E2509209 | Certificate of Analysis | Jul 01, 2024 | A151374 |
| E2509210 | Certificate of Analysis | Jul 01, 2024 | A151374 |
| E2509211 | Certificate of Analysis | Jul 01, 2024 | A151374 |
| K2505200 | Certificate of Analysis | Jul 01, 2024 | A151374 |
| K2505201 | Certificate of Analysis | Jul 01, 2024 | A151374 |
| B2317319 | Certificate of Analysis | Dec 15, 2022 | A151374 |
| B2317325 | Certificate of Analysis | Dec 15, 2022 | A151374 |
| B2317326 | Certificate of Analysis | Dec 15, 2022 | A151374 |
| B2317338 | Certificate of Analysis | Dec 15, 2022 | A151374 |
| B2317356 | Certificate of Analysis | Dec 15, 2022 | A151374 |
| B2317361 | Certificate of Analysis | Dec 15, 2022 | A151374 |
| B2317363 | Certificate of Analysis | Dec 15, 2022 | A151374 |
| J2522049 | Certificate of Analysis | Dec 15, 2022 | A151374 |
| Solubility | Insoluble in water; Miscible with Benzene,Ether; Soluble in Alcohol |
|---|---|
| Sensitivity | heat sensitive |
| Refractive Index | 1.49 |
| Flash Point(°F) | 150.8 °F |
| Flash Point(°C) | 66°C(lit.) |
| Boil Point(°C) | 205°C |
| Melt Point(°C) | -75°C(lit.) |
| Molecular Weight | 148.240 g/mol |
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| Exact Mass | 148.125 Da |
| Monoisotopic Mass | 148.125 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 80.000 |
| 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. Meijun Wan, Yunchao Zheng, Xuemei Dai, Honglin Yang, Jingqiu Zhou, Jing Ou, Yaxin Yang, Meifang Liao, Zhining Xia, Lujun Wang. (2023) Click Chemistry for the Preparation of β-Cyclodextrin Grafting Uniform Spherical Covalent Organic Framework Materials for Chiral Separation. CHEMISTRY OF MATERIALS, [PMID:] [10.1021/acs.chemmater.2c03140] |
| 2. Wen-Bo Xie, Hao Li, Lei Zeng, Li-Juan Jiang, Wen Li, Lu Xia, Fu-Hou Lei. (2022) Separation of Panax notoginseng saponins on modified rosin ester-bonded silica stationary phase and its mechanism. ANALYTICA CHIMICA ACTA, [PMID:36628701] [10.1016/j.aca.2022.340661] |
| 3. Yu Huang, Yi Wu, Wenhui Li, Xiaohui Yan, Dapeng Wu. (2022) Preparation of Porous Silica Particles with a Controlled Mesopore Size by Ultrasonic Spray Drying for High-Performance Liquid Chromatography (HPLC). ANALYTICAL LETTERS, [PMID:] [10.1080/00032719.2022.2128363] |
| 4. Yan Zhang, Chuangchuang Cao, Bowen Mei, Jiabiao Zou, Long Zhao, Jiuzhong Yang, Yuyang Li. (2022) Investigation on n-pentylbenzene combustion at various pressures: Insight into effects of side-chain length on alkylbenzene combustion. COMBUSTION AND FLAME, [PMID:] [10.1016/j.combustflame.2021.111976] |
| 5. Hui Bai, Lei Chen. (2021) Simultaneous separation of atenolol enantiomers and its acid/alkaline degradation impurities on mixed-mode chiral ligand exchange stationary phases. CHIRALITY, 33 (10): (710-721). [PMID:34423466] [10.1002/chir.23353] |
| 6. Yunchao Zheng, Meijun Wan, Jingqiu Zhou, Qiurong Luo, Die Gao, Qifeng Fu, Jing Zeng, Fengjiao Zu, Lujun Wang. (2021) Striped covalent organic frameworks modified stationary phase for mixed mode chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:34034102] [10.1016/j.chroma.2021.462186] |
| 7. Xue Li, Yuan-Yuan Cui, Cheng-Xiong Yang. (2020) Covalent coupling fabrication of microporous organic network bonded capillary columns for gas chromatographic separation. TALANTA, [PMID:33379116] [10.1016/j.talanta.2020.121914] |
| 8. Zhihua Song, Shenghong Li, Yafeng Guan, Shuo Wang, Yinghao Wang, Gangqiang Yang, Xiaochen Zhang, Jinhua Li, Wenhao Song, Chuanming Zhou, Lingxin Chen. (2019) Facile synthesis of zirconia-coated mesoporous silica particles by hydrothermal strategy under low potential of hydrogen conditions and functionalization with dodecylphosphonic acid for high-performance liquid chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:31708214] [10.1016/j.chroma.2019.460659] |
| 9. Xiaohui Yang, Guangping Wan, Shujuan Ma, Hongjun Xia, Jun Wang, Jiawei Liu, Yanna Liu, Gang Chen, Quan Bai. (2019) Synthesis and optimization of SiO2@SiO2 core-shell microspheres by an improved polymerization-induced colloid aggregation method for fast separation of small solutes and proteins. TALANTA, [PMID:31594599] [10.1016/j.talanta.2019.120310] |
| 10. Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan. (2019) In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons. ELECTROPHORESIS, [PMID:30942493] [10.1002/elps.201800540] |
| 11. Haixia Lyu, Heqing Zhao, Wenfei Qin, Zenghong Xie. (2017) Preparation of a long-alkyl-chain-based hybrid monolithic column with mixed-mode interactions using a “one-pot” process for pressurized capillary electrochromatography. JOURNAL OF SEPARATION SCIENCE, 40 (23): (4521-4529). [PMID:28985036] [10.1002/jssc.201700772] |
| 12. Yiran Xia, Lushuai Wang, Yang Liu, Jiawei Liu, Quan Bai. (2024) One-pot fabrication and evaluation of β-ketoenamine covalent organic frameworks@silica composite microspheres as reversed-phase/hydrophilic interaction mixed-mode stationary phase for high performance liquid chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:38795423] [10.1016/j.chroma.2024.464998] |
| 13. Zhipeng Zhu, Min Zhang, Xiaohui Yan, Chenglong Shi, Bin Wang, Yanshuo Li, Dapeng Wu. (2025) Preparation and evaluation of crosslinked polystyrene-divinylbenzene stationary phase on porous silica by atom transfer radical polymerization for high performance liquid chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:40850130] [10.1016/j.chroma.2025.466311] |
| 14. Fei Jiang, Zhiming Dong, Xiaoli Lou, Zhuonan Zhang, Li Shuai, Chengke Zhao. (2025) Selective and mild oxidation of α-hydroxyl groups in lignin by 2-iodoxybenzoic acid. Frontiers in Bioengineering and Biotechnology, [PMID:40994675] [10.3389/fbioe.2025.1654739] |
| 15. Jing Li, Li Xu, Zhi-guo Shi. (2018) Waxberry-like hierarchically porous ethyl-bridged hybrid silica microsphere: A substrate for enzyme catalysis and high-performance liquid chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:30527847] [10.1016/j.chroma.2018.11.073] |
| 16. Dan Wang, Yuanmin Gong, Meiting Yan, Jiaqi Chen, Xueping Tao, Yang Zhou, Yan Ma, Li Rao, Panpan Chen, Qifeng Fu. (2025) Self-polymerization-driven high-purity hydrophobic carbon dots incorporated monolithic columns for high-selectivity reversed-phase capillary liquid chromatography. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.113665] |
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