Basic Description

Synonyms	EINECS 202-704-5 \| Isopropilbenzene \| CUMENE [IARC] \| CUMENE [MI] \| Benzene, isopropyl \| Benzene, isopropyl- \| Propane, 2-phenyl \| Propane, 2-phenyl- \| Cumene, 98% \| NSC 8776 \| NSC8776 \| NSC-8776 \| Cumene, analytical standard \| 4-isopropyl benzene \| AKOS0
Specifications & Purity	Standard for GC, ≥99.5%
Shipped In	Normal
Grade	Standard for GC

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Cumenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Cumenes
Intermediate Tree Nodes	Not available
Direct Parent	Cumenes
Alternative Parents	Phenylpropanes Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Cumene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	cumene
INCHI	InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey	RWGFKTVRMDUZSP-UHFFFAOYSA-N
Smiles	CC(C)C1=CC=CC=C1
Isomeric SMILES	CC(C)C1=CC=CC=C1
WGK Germany	1
RTECS	GR8575000
UN Number	1918
Packing Group	III
Molecular Weight	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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

17 results found

Lot Number	Certificate Type	Date	Item
B2510110	Certificate of Analysis	Mar 25, 2025	I101049
B2510108	Certificate of Analysis	Feb 14, 2025	I101049
F23081051	Certificate of Analysis	Jun 20, 2023	I101049
F23081055	Certificate of Analysis	Jun 19, 2023	I101049
F23081052	Certificate of Analysis	Jun 19, 2023	I101049
F23081053	Certificate of Analysis	Jun 13, 2023	I101049
F2102313	Certificate of Analysis	Mar 13, 2023	I101049
F2102317	Certificate of Analysis	Mar 13, 2023	I101049
F2102312	Certificate of Analysis	Mar 13, 2023	I101049
K2215119	Certificate of Analysis	Jul 27, 2022	I101049
H2209460	Certificate of Analysis	Jul 27, 2022	I101049
C2321995	Certificate of Analysis	Jul 27, 2022	I101049
H2209456	Certificate of Analysis	Jul 27, 2022	I101049
H2209459	Certificate of Analysis	Jul 27, 2022	I101049
H2209362	Certificate of Analysis	Jul 27, 2022	I101049
F2229113	Certificate of Analysis	May 30, 2022	I101049
C2226610	Certificate of Analysis	May 30, 2022	I101049

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Chemical and Physical Properties

Refractive Index	1.4914
Flash Point(°F)	87.8 °F
Flash Point(°C)	31.0 °C
Boil Point(°C)	152-154°C
Melt Point(°C)	-96.0°C
Molecular Weight	120.190 g/mol
XLogP3	3.700
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 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	68.100
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

Citations of This Product

How to Cite Aladdin Scientific Products?

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, 15 (27): (32926–32934).
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, 336 (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, 11 (14): (5773–5781).
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, 148 (109663).
5. Zhihui Liu, Siyuan Sun, Fan Yang, Hongchen Liu, Yang Sun, Na Ta, Ge Zhang, Sai Che, Yongfeng Li. (2023) Synergistic effect of Fe/CuNC dual single-atom catalyst for CH bond oxidation. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 632 (237).
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, 382 (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, 712 (179212).
8. Hui Li, Mao Zhang, Keren Agyekumwaa Addo, Yigang Yu, Xinglong Xiao. (2022) Action mode of cuminaldehyde against Staphylococcus aureus and its application in sauced beef. LWT-FOOD SCIENCE AND TECHNOLOGY, 155 (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, 703 (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).
11. Xue Li, Yuan-Yuan Cui, Cheng-Xiong Yang. (2021) Covalent coupling fabrication of microporous organic network bonded capillary columns for gas chromatographic separation. TALANTA, 224 (121914).
12. Kaikai Liu, Tiefeng Wang, Minghan Han. (2020) Rational design of efficient steric catalyst for isomerization of 2-methyl-3-butenenitrile. Molecular Catalysis, 498 (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, 393 (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, 1460 (173).
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, 5 (41): (32416-32420).
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 (7): (3229-3237).
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, 86 (19): (9595–9602).
18. Xue Xiong,Meiling Qi. (2018-08-14) Hexagonal boron nitride stationary phase for gas chromatography.. Journal of chromatography. A, 1567 (191-197).
19. 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, 1729 (465036).
20. Yixin Kuang, Suxin Zhou, Cheng Mao, Xiaoying Feng, Juan Zheng, Gangfeng Ouyang. (2025) Cascading in-situ grown UiO-66 and alternative calix[n]arenes for high-resolution isomer separation. SEPARATION AND PURIFICATION TECHNOLOGY, 354 (129313).
21. 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, 660 (490).
22. 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).
23. 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, 7 (16): (19056-19064).

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SKU	Size	Availability	Price
I101049-5ml	5ml	5	$21.90
I101049-25ml	25ml	5	$69.90
I101049-100ml	100ml	5	$195.90
I101049-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$665.90

Isopropylbenzene standard solution - Standard for GC,>99.5%, high purity , CAS No.98-82-8