Isopropylbenzene standard solution - analytical standard , CAS No.98-82-8

CAS: 98-82-8 Cat. No.: I101052 Peso molecular: 120.19 Beilstein Registry Number: 1236613 Número EC: 202-704-5
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
CUMENE|Isopropylbenzene|98-82-8|2-Phenylpropane|(1-Methylethyl)benzene|Cumol|Benzene, (1-methylethyl)-|Isopropylbenzol|Cumeen|Isopropilbenzene|Isopropylbenzeen|2-Fenilpropano|2-Fenyl-propaan|Isopropyl-benzol|Benzene, isopropyl|Propane, 2-phenyl|(propan-2-
Storage
Room temperature
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Size
Estado
Price
Qty
1g
I101052-1g
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 28 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
CUMENE | Isopropylbenzene | 98-82-8 | 2-Phenylpropane | (1-Methylethyl)benzene | Cumol | Benzene, (1-methylethyl)- | Isopropylbenzol | Cumeen | Isopropilbenzene | Isopropylbenzeen | 2-Fenilpropano | 2-Fenyl-propaan | Isopropyl-benzol | Benzene, isopropyl | Propane, 2-phenyl | (propan-2-
Especificaciones y pureza
analytical standard
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
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Grado
Analytical standard
Nombres e identificadores
Sonrisas canónicasCC(C)C1=CC=CC=C1
IUPAC Namecumene
InChIKeyRWGFKTVRMDUZSP-UHFFFAOYSA-N
INCHI1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
Isómeros SMILES CC(C)C1=CC=CC=C1
WGK Alemania 1
RTECS GR8575000
Número ONU 1918
Grupo de embalaje III
Peso molecular 120.19
Beilstein 1236613
Reaxy-Rn 1236613
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236613&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassCumenes
Intermediate Tree Nodes Not available
Direct ParentCumenes
Alternative Parents Phenylpropanes  Aromatic hydrocarbons  Unsaturated hydrocarbons  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylpropane - Cumene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors an aromatic compound
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeFechaArticulo
D2601180Certificate of AnalysisApr 13, 2026 I101052
E1605133Certificate of AnalysisJun 12, 2025 I101052
Propiedades químicas y físicas
Índice de refracción1.4914
Punto de inflamación (°F)87.8 °F
Punto de inflamación (°C)31.0 °C
Punto de ebullición (°C)152-154°C
Punto de fusión (°C)-96.0°C
Peso molecular120.190 g/mol
XLogP33.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass120.094 Da
Monoisotopic Mass120.094 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity68.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
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. Yue Sun, Yanbo Liu, Gangsen Yue, Jinhui Cao, Chong Li, Jie Ma.  (2023)  Vapor-phase biodegradation and natural attenuation of petroleum VOCs in the unsaturated zone: A microcosm study.  CHEMOSPHERE,      [PMID:37343641] [10.1016/j.chemosphere.2023.139275]
3. Zhicheng Chen, Yuchan Deng, Guangxing Yang, Ya-Nan Zhu, Qiao Zhang, Zhiting Liu, Yonghai Cao, Feng Peng.  (2023)  Understanding of Cumene Oxidation Catalyzed by Metal–Nitrogen–Carbon through Theoretical Simulations and Kinetic Validation.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c00676]
4. Hui Li, Keren Agyekumwaa Addo, Yi-gang Yu, Xing-long Xiao.  (2023)  Effects of cuminaldehyde combined with mild heat against Salmonella enterica serovar Typhimurium in powdered infant formula.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2023.109663]
5. Zhihui Liu, Siyuan Sun, Fan Yang, Hongchen Liu, Yang Sun, Na Ta, Ge Zhang, Sai Che, Yongfeng Li.  (2022)  Synergistic effect of Fe/CuNC dual single-atom catalyst for CH bond oxidation.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:36427420] [10.1016/j.jcis.2022.11.005]
6. Hui Li, Yan-yan Huang, Keren Agyekumwaa Addo, Ze-xuan Huang, Yi-gang Yu, Xing-long Xiao.  (2022)  Transcriptomic and proteomic analysis of Staphylococcus aureus response to cuminaldehyde stress.  INTERNATIONAL JOURNAL OF FOOD MICROBIOLOGY,      [PMID:36122481] [10.1016/j.ijfoodmicro.2022.109930]
7. Suijun Yang, Jiong Ding, Xingci Zhang, Shuliang Ye, Zichao Guo, Wanghua Chen.  (2022)  Fusion method of model-free and model-fitting for complex reactions in accelerating rate calorimetry.  THERMOCHIMICA ACTA,      [PMID:] [10.1016/j.tca.2022.179212]
8. Hui Li, Mao Zhang, Keren Agyekumwaa Addo, Yigang Yu, Xinglong Xiao.  (2021)  Action mode of cuminaldehyde against Staphylococcus aureus and its application in sauced beef.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2021.112924]
9. Xiao-Qiao Zhao, Wen-Qian Wu, Hua-bo Li, Wang-Hua Chen, Zi-Chao Guo, Li-Ping Chen.  (2021)  Pressure-identification method in adiabatic calorimetry: Determining decomposition mechanism model from initial conversion based on experimental pressure data.  THERMOCHIMICA ACTA,      [PMID:] [10.1016/j.tca.2021.178997]
10. HanShuang Liu, KaiJun Wang, XiaoYan Cao, JiaXin Su, Zhenggui Gu.  (2021)  A new highly active La2O3–CuO–MgO catalyst for the synthesis of cumyl peroxide by catalytic oxidation.  RSC Advances,  11  (21): (12532-12542).  [PMID:35423823] [10.1039/D1RA00176K]
11. 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]
12. Kaikai Liu, Tiefeng Wang, Minghan Han.  (2020)  Rational design of efficient steric catalyst for isomerization of 2-methyl-3-butenenitrile.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2020.111259]
13. Le Sang, Xudong Feng, Jiacheng Tu, Bingqi Xie, Guangsheng Luo, Jisong Zhang.  (2020)  Investigation of external mass transfer in micropacked bed reactors.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.124793]
14. Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu.  (2016)  Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27423773] [10.1016/j.chroma.2016.07.029]
15. Kang Qin, Kai Wang, Yang Li, Fanhe Kong, Tao Wang.  (2015)  High-pressure phase behavior of 1-ethyl-3-methylimidazolium tetrafluoroborate and carbon dioxide system.  RSC Advances,  (41): (32416-32420).  [PMID:] [10.1039/C5RA03866A]
16. 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): (3229-3237).  [PMID:] [10.1039/C4AY03068K]
17. Jun-Hui Zhang, Sheng-Ming Xie, Mei Zhang, Min Zi, Pin-Gang He, Li-Ming Yuan.  (2014)  Novel Inorganic Mesoporous Material with Chiral Nematic Structure Derived from Nanocrystalline Cellulose for High-Resolution Gas Chromatographic Separations.  ANALYTICAL CHEMISTRY,      [PMID:25188539] [10.1021/ac502073g]
18. Hu Meng, Yuyu Wei, Liang Feng.  (2024)  A microchip gas chromatography column assembly with a 3D metal printing micro column oven and a flexible stainless-steel column.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38843573] [10.1016/j.chroma.2024.465036]
19. Yixin Kuang, Suxin Zhou, Cheng Mao, Xiaoying Feng, Juan Zheng, Gangfeng Ouyang.  (2024)  Cascading in-situ grown UiO-66 and alternative calix[n]arenes for high-resolution isomer separation.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.129313]
20. Xingrui Yu, Chao Xiong, Yichao Liang, Xiantai Zhou, Can Xue.  (2024)  Construction of a highly stable natural silicate-supported molybdenum catalyst for efficient epoxidation of olefins.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:38246052] [10.1016/j.jcis.2024.01.117]
21. Yang Suijun, Xu Qiyue, Ye Weitao, Ye Shuliang.  (2024)  Kinetic predictions of accelerating rate calorimetry based on isoconversional methods.  JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY,  149  (9): (3795-3808).  [PMID:] [10.1007/s10973-024-12980-5]
22. Qianchun Zhang, Yuxian Zhao, Zhaoru Ban, Li Jiang, Shan Tang.  (2024)  Synthesis of Mesoporous SiO2 Nanomicrospheres for the Efficient Cataluminescence Sensing of Isobutyraldehyde.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c02931]
23. Houchun Yan, He Ma, Xuqiang Li, Shaolong Dong, Qingsong Li.  (2025)  Separation of higher-rank phenols from coal tar models: a combination of experiment and mechanism analysis.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2025.107550]
24. Wen-Chao Deng, Hai-Long Qian, Cheng Yang, Shu-Ting Xu, Xiu-Ping Yan.  (2023)  General Two-Step Method for the Fabrication of Covalent-Organic Framework-Bound Open-Tubular Capillary Columns for High-Resolution Gas Chromatography Separation of Isomers.  ACS Applied Materials & Interfaces,      [PMID:37963803] [10.1021/acsami.3c13853]
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