This is a demo store. No orders will be fulfilled.

4-lsopropyltoluene - standard for GC,≥99.5%(GC), high purity , CAS No.99-87-6

In stock
Item Number
I105451
Grouped product items
SKU Size
Availability
Price Qty
I105451-5ml
5ml
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$32.90
View related series
Metabolite (5307)

Basic Description

Synonyms p-Mentha-1,3,5-triene | 1-Isopropyl-4-methylbenzene | 1-isopropyl-4-methyl-Benzene | Benzene, 1-isopropyl-4-methyl- | MML | p-Isopropylmethylbenzene | 2-p-Tolylpropane | EINECS 202-796-7 | p-Cymene [UN2046] [Flammable liquid] | s5598 | benzene, 1-methyl-
Specifications & Purity Standard for GC, ≥99.5%(GC)
Shipped In Normal
Grade Standard for GC

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Prenol lipids
Subclass Monoterpenoids
Intermediate Tree Nodes Not available
Direct Parent Aromatic monoterpenoids
Alternative Parents Monocyclic monoterpenoids  Phenylpropanes  Cumenes  Toluenes  Aromatic hydrocarbons  Unsaturated hydrocarbons  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Toluene - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
External Descriptors a monoterpenoid

Associated Targets(non-human)

Meloidogyne incognita (862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Musca domestica (713 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Tetranychus urticae (2600 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rdl GABA receptor subunit (76 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Tribolium castaneum (596 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Sitophilus zeamais (188 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Corticium (78 Activities)
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 1-methyl-4-propan-2-ylbenzene
INCHI InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey HFPZCAJZSCWRBC-UHFFFAOYSA-N
Smiles CC1=CC=C(C=C1)C(C)C
Isomeric SMILES CC1=CC=C(C=C1)C(C)C
WGK Germany 2
RTECS GZ5950000
UN Number 2046
Packing Group III
Molecular Weight 134.2
Beilstein 1903377
Reaxy-Rn 1903377
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903377&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.

5 results found

Lot Number Certificate Type Date Item
D2508085 Certificate of Analysis Apr 18, 2025 I105451
E2409088 Certificate of Analysis May 16, 2024 I105451
J2312018 Certificate of Analysis Oct 19, 2023 I105451
K2212466 Certificate of Analysis Nov 15, 2022 I105451
G2222384 Certificate of Analysis Jul 26, 2022 I105451

Chemical and Physical Properties

Refractive Index 1.49
Flash Point(°C) 47°C
Boil Point(°C) 177.1°C
Melt Point(°C) -67.94°C
Molecular Weight 134.220 g/mol
XLogP3 4.100
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
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 86.200
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

1. Ping Keung Wong, Yuen Wai Lui, Qingqing Tao, Matthew Y. Lui.  (2024)  Solvent-targeted recovery of all major materials in beverage carton packaging waste.  RESOURCES CONSERVATION AND RECYCLING,  202  (107367). 
2. Jianbing Wu, Wenjun Guo, Yongfeng Wang, Jian Liu, Heng Wang, Zhaozhu Zheng, Xiaoqin Wang, David L. Kaplan.  (2023)  Stabilization and Sustained Release of Fragrances Using Silk-PEG Microspheres.  ACS Biomaterials Science & Engineering,  (6): (3335–3347). 
3. Liu Ying, Liu Xin, Gao Ying, Dong Shijian, Xiang Xiaole, Ma Lulu, Li Shugang.  (2023)  Recognition and identification of compounds contributing to off-flavor of egg white powder by molecular sensory science approach.  EUROPEAN FOOD RESEARCH AND TECHNOLOGY,  249  (7): (1749-1759). 
4. Yujiao Cheng, Leng Han, Linhua Huang, Xiang Tan, Houjiu Wu, Guijie Li.  (2023)  Association between flavor composition and sensory profile in thermally processed mandarin juices by multidimensional gas chromatography and multivariate statistical analysis.  FOOD CHEMISTRY,  419  (136026). 
5. Yulin Zhang, Guozhao Ji, Fahim Ullah, Aimin Li.  (2023)  Polyoxometalate catalyzed oxidative desulfurization of diesel range distillates from waste tire pyrolysis oil.  Journal of Cleaner Production,  389  (136038). 
6. Youyou Yang, Jing Li, Jiangtao Xing, Weihai Xing, Chaohua Tang, Zhenghua Rao, Junmin Zhang.  (2022)  Untargeted Profiling and Differentiation of Volatiles in Varieties of Meat Using GC Orbitrap MS.  Foods,  11  (24): (3997). 
7. Xiangying Yu, Xiaochun Chen, Yuting Li, Lin Li.  (2022)  Effect of Drying Methods on Volatile Compounds of Citrus reticulata Ponkan and Chachi Peels as Characterized by GC-MS and GC-IMS.  Foods,  11  (17): (2662). 
8. Fulin Li, Lihong Deng, Qiwei Xu, Ke Yuan, Hang Song.  (2022)  Extractive separation of 1,8-cineole and γ-terpinene with lactic acid-based deep eutectic solvents.  JOURNAL OF MOLECULAR LIQUIDS,  363  (119828). 
9. Yuanpeng Hao, Jiamu Kang, Rui Yang, Hui Li, Hongxia Cui, Hongtong Bai, Andrey Tsitsilin, Jingyi Li, Lei Shi.  (2022)  Multidimensional exploration of essential oils generated via eight oregano cultivars: Compositions, chemodiversities, and antibacterial capacities.  FOOD CHEMISTRY,  374  (131629). 
10. Yujiao Cheng, Guijie Li, Houjiu Wu, Linhua Huang, Hua Wang.  (2021)  Identification of Light-Induced Key Off-Flavors in Ponkan Mandarin Juice Using MDGC-MS/O and GC–MS/PFPD.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,  69  (47): (14259–14269). 
11. Yang Han, Yuanyuan Liu, Shiwei Wang, Xuehui Ge, Xiaoda Wang, Ting Qiu.  (2022)  High-efficiency and safe synthesis of tonalid via two Friedel-Crafts reactions in continuous-flow microreactors.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,  52  (126). 
12. Guanjun Nan, Lina Zhang, Zhengzheng Liu, Yu Liu, Yan Du, Hongwen Zhao, Hongxia Zheng, Rong Lin, Guangde Yang, Shaohua Zheng.  (2021)  Quantitative Determination of p-Cymene, Thymol, Neryl Acetate, and β-Caryophyllene in Different Growth Periods and Parts of Eupatorium fortunei Turcz. by GC-MS/MS.  Journal of Analytical Methods in Chemistry,  2021  (2174667). 
13. Zheng Chengyu, Zhou Qinan, Wang Zhenhe, Wang Jun.  (2021)  Behavioral responses of Platycladus orientalis plant volatiles to Phloeosinus aubei by GC-MS and HS-GC-IMS for discrimination of different invasive severity.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  413  (23): (5789-5798). 
14. Zhenhe Wang, Wei Chen, Shuang Gu, Jun Wang, Yongwei Wang.  (2020)  Discrimination of wood borers infested Platycladus orientalis trunks using quartz crystal microbalance gas sensor array.  SENSORS AND ACTUATORS B-CHEMICAL,  309  (127767). 
15. Longyi Nan, Chao Liu, Qiaoyun Li, Xiaocao Wan, Jianpeng Guo, Peng Quan, Liang Fang.  (2018)  Investigation of the enhancement effect of the natural transdermal permeation enhancers from Ledum palustre L. var. angustum N. Busch: Mechanistic insight based on interaction among drug, enhancers and skin.  EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES,  124  (105). 
16. 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). 
17. Ma Wei-Bin, Feng Jun-Tao, Jiang Zhi-Li, Wu Hua, Ma Zhi-Qing, Zhang Xing.  (2014)  Fumigant activity of eleven essential oil compounds and their selected binary mixtures against Culex pipiens pallens (Diptera: Culicidae).  PARASITOLOGY RESEARCH,  113  (10): (3631-3637). 
18. Dongwei Wei, Lishuo Wang, Chao Zhang.  (2010)  Solid−Liquid Equilibria in Binary Mixtures of 1,8-Cineole with p-Cymene, β-Pinene, and Camphene.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,  55  (3): (1456–1458). 
19. Yujiao Cheng, Leng Han, Linzi Shao, Hua Wang, Zheng Guo, Guijie Li.  (2024)  Comparative investigation on the aroma profiles of edible citrus flowers in the main organs and different developmental stages.  Food Chemistry-X,  23  (101568). 
20. Xiaoming Zeng, Hao He, Liejiang Yuan, Haizhi Wu, Cong Zhou.  (2024)  Determination of 24 Trace Aromatic Substances in Rosemary Hydrosol by Dispersed Liquid–Liquid Microextraction–Gas Chromatography.  Processes,  12  (3): (498). 
21. Huiyong Wu, Jianfeng Zhang, Tingting Dong, Yue Cheng, Xuesheng Hu, Huizhou Liu, Liangrong Yang.  (2025)  Direct and highly efficient lithium extraction from real oilfield brine via a selective TOP-FeCl3 system.  SEPARATION AND PURIFICATION TECHNOLOGY,  363  (132086). 
22. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang.  (2024)  Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef.  Heliyon,  10   
23. Haoran Pei, Gang Xie, Xiang Yao, Shenghui Wang, Jin Yan, Liangying Dai, Yunsheng Wang.  (2024)  Exploring the binding affinity and characteristics of DcitOBP9 in citrus psyllids.  GENE,  923  (148551). 
24. Huanyan Liang, Feifei Lv, Mengting Xian, Chenghua Luo, Lei Zhang, Meihua Yang, Qian Li, Xiangsheng Zhao.  (2025)  Inhibition Mechanism of Cinnamomum burmannii Leaf Essential Oil Against Aspergillus flavus and Aflatoxins.  Foods,  14  (4): (682). 
25. Yujiao Cheng, Min Zhang, Leng Han, Guijie Li, Min Hong, Hua Wang, Houjiu Wu, Linhua Huang.  (2025)  Investigating the influence of insoluble pulp particles on flavor retention and characterization of freshly squeezed and pasteurized mandarin juice.  FOOD RESEARCH INTERNATIONAL,  208  (116237). 
26. Li Wang, Jianfeng Zhang, Shixin Meng, Huiyong Wu, Yunze Zhao, Zhen Meng, Lei Feng, Huanting Wang, Yuan Cheng, Liangrong Yang, Huizhou Liu.  (2025)  Recovery of lithium from high Mg2+/Li+ ratio brine using a novel solvent extraction system TOP-FeCl3-MIBK.  DESALINATION,  599  (118445). 
27. Yilong Xu, Shihao Fu, Yuxin Wen, Wenqing Lv, Liangyan Ma, Haoquan Hu, Lijun Jin.  (2025)  Synthesis of α-terpinyl methyl ether by catalytic alkoxylation of tire pyrolysis oil over heteropolyacid modified Hβ zeolite.  CHEMICAL ENGINEERING SCIENCE,  311  (121572). 

Solution Calculators

Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.