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

CAS: 99-87-6 Cat. No.: I105451 Peso molecular: 134.2 Beilstein Registry Number: 1903377 Número EC: 202-796-7
Disponible para pedir
GRADE & PURITY Standard for GC ? GC reference standard — characterized compound for calibrating GC methods. Use to build calibration curves and verify GC quantitation. ≥99.5%(GC)
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-
Storage
Room temperature
Shipped In
FedEx DG Service
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5ml
I105451-5ml
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21,90US$

32,90US$
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Why this grade

Standard for GC, ≥99.5%(GC) Standard for GC 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 30 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
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-
Especificaciones y pureza
Standard for GC, ≥99.5%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Standard for GC
Pureza
≥99.5%(GC)
Nombres e identificadores
Sonrisas canónicasCC1=CC=C(C=C1)C(C)C
IUPAC Name1-methyl-4-propan-2-ylbenzene
InChIKeyHFPZCAJZSCWRBC-UHFFFAOYSA-N
INCHI1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Isómeros SMILES CC1=CC=C(C=C1)C(C)C
WGK Alemania 2
RTECS GZ5950000
Número ONU 2046
Grupo de embalaje III
Peso molecular 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=

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClasePrenol lipids
SubclassMonoterpenoids
Intermediate Tree Nodes Not available
Direct ParentAromatic monoterpenoids
Alternative Parents Monocyclic monoterpenoids  Phenylpropanes  Cumenes  Toluenes  Aromatic hydrocarbons  Unsaturated hydrocarbons  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Toluene - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (no humanos)
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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.

7 results found

Lot NumberCertificate TypeFechaArticulo
L2510405Certificate of AnalysisDec 31, 2025 I105451
J2531149Certificate of AnalysisNov 10, 2025 I105451
D2508085Certificate of AnalysisApr 18, 2025 I105451
E2409088Certificate of AnalysisMay 16, 2024 I105451
J2312018Certificate of AnalysisOct 19, 2023 I105451
K2212466Certificate of AnalysisNov 15, 2022 I105451
G2222384Certificate of AnalysisJul 26, 2022 I105451
Propiedades químicas y físicas
Índice de refracción1.49
Punto de inflamación (°C)47°C
Punto de ebullición (°C)177.1°C
Punto de fusión (°C)-67.94°C
Peso molecular134.220 g/mol
XLogP34.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass134.11 Da
Monoisotopic Mass134.11 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity86.200
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
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Ping Keung Wong, Yuen Wai Lui, Qingqing Tao, Matthew Y. Lui.  (2023)  Solvent-targeted recovery of all major materials in beverage carton packaging waste.  RESOURCES CONSERVATION AND RECYCLING,      [PMID:] [10.1016/j.resconrec.2023.107367]
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,      [PMID:37144723] [10.1021/acsbiomaterials.3c00064]
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).  [PMID:] [10.1007/s00217-023-04249-2]
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,      [PMID:37030207] [10.1016/j.foodchem.2023.136026]
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,      [PMID:] [10.1016/j.jclepro.2023.136038]
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).  [PMID:36553738] [10.3390/foods11243997]
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).  [PMID:36076849] [10.3390/foods11172662]
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,      [PMID:] [10.1016/j.molliq.2022.119828]
9. Yuanpeng Hao, Jiamu Kang, Rui Yang, Hui Li, Hongxia Cui, Hongtong Bai, Andrey Tsitsilin, Jingyi Li, Lei Shi.  (2021)  Multidimensional exploration of essential oils generated via eight oregano cultivars: Compositions, chemodiversities, and antibacterial capacities.  FOOD CHEMISTRY,      [PMID:34865929] [10.1016/j.foodchem.2021.131629]
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,      [PMID:34784211] [10.1021/acs.jafc.1c05465]
11. Yang Han, Yuanyuan Liu, Shiwei Wang, Xuehui Ge, Xiaoda Wang, Ting Qiu.  (2021)  High-efficiency and safe synthesis of tonalid via two Friedel-Crafts reactions in continuous-flow microreactors.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2021.09.028]
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,      [PMID:34381625] [10.1155/2021/2174667]
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).  [PMID:34322736] [10.1007/s00216-021-03556-5]
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,      [PMID:] [10.1016/j.snb.2020.127767]
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,      [PMID:30153525] [10.1016/j.ejps.2018.08.025]
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,      [PMID:27423773] [10.1016/j.chroma.2016.07.029]
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).  [PMID:25015050] [10.1007/s00436-014-4028-0]
18. Dongwei Wei, Lishuo Wang, Chao Zhang.  (2009)  Solid−Liquid Equilibria in Binary Mixtures of 1,8-Cineole with p-Cymene, β-Pinene, and Camphene.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/je900653p]
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,      [PMID:39022788] [10.1016/j.fochx.2024.101568]
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).  [PMID:] [10.3390/pr12030498]
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,      [PMID:] [10.1016/j.seppur.2025.132086]
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,      [PMID:39253161] [10.1016/j.heliyon.2024.e36382]
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,      [PMID:38759737] [10.1016/j.gene.2024.148551]
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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,      [PMID:40263853] [10.1016/j.foodres.2025.116237]
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