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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-lsopropyltoluene - analytical standard, ≥99.5%(GC) , CAS No.99-87-6
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥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-
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Why this grade analytical standard, ≥99.5%(GC) 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 30 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications 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
analytical standard, ≥99.5%(GC)
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Names and Identifiers Canonical Smiles
CC1=CC=C(C=C1)C(C)C
IUPAC Name
1-methyl-4-propan-2-ylbenzene
InChIKey
HFPZCAJZSCWRBC-UHFFFAOYSA-N
INCHI
1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Isomeric SMILES
CC1=CC=C(C=C1)C(C)C
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.
Download SDS → ✅ 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 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 Data sources 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.
3D Structure Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) 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
Documents & Articles Citations of This Product Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
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