p-CYMENE

Base Information

• Chemical Name: p-CYMENE
• CAS No.: 99-87-6
• Molecular Formula: C10H14
• Molecular Weight: 134.221
• Hs Code.: 2902909090
• European Community (EC) Number: 202-796-7
• ICSC Number: 0617
• NSC Number: 4162
• UN Number: 2046
• UNII: 1G1C8T1N7Q
• DSSTox Substance ID: DTXSID3026645
• Nikkaji Number: J11.621A
• Wikipedia: P-Cymene
• Wikidata: Q284072
• Metabolomics Workbench ID: 28102
• ChEMBL ID: CHEMBL442915
• Mol file: 99-87-6.mol

Synonyms:4-cymene;p-cimene;p-cymene;p-cymol

Chemical Property of p-CYMENE

Chemical Property:

• Appearance/Colour: colourless liquid with a characteristic odour
• Melting Point: -68 °C
• Refractive Index: n20/D 1.490(lit.)
• Boiling Point: 173.9 °C at 760 mmHg
• Flash Point: 47.2 °C
• PSA: 0.00000
• Density: 0.861 g/cm³
• LogP: 3.11840
• Water Solubility.: PRACTICALLY INSOLUBLE
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 86.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R10:; R36/37/38:
• Safety Statements: S26:; S36:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aromatic Solvents
• Canonical SMILES: CC1=CC=C(C=C1)C(C)C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of p-CYMENE

There total 670 articles about p-CYMENE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 25.0%

2-carene (554-61-0) → 1-methyl-4-isopropyl-1,3-cyclohexadiene (99-86-5) + 4-methylisopropylbenzene (99-87-6) + isoterpinolene (586-63-0) + 3-carene (13466-78-9,19079-29-9)

Guidance literature:

thionin-supported zeolite Na-Y; In hexane; at 20 ℃; for 0.5h; Product distribution;

DOI:10.1002/poc.557

Reference yield:

(rac)-chloro(η6-p-cumene)(2-phenylpyridine-κC,N)ruthenium(II) (811436-73-4) + acetophenone (98-86-2) → 2-phenylpyridine (1008-89-5) + 4-methylisopropylbenzene (99-87-6) + 1-Phenylethanol (98-85-1,13323-81-4)

Guidance literature:

With isopropyl alcohol; potassium hydroxide; In isopropyl alcohol; for 2.5h; Reflux;

DOI:10.1016/j.jorganchem.2018.04.028

Reference yield:

Pinene (80-56-8,177698-18-9,25766-18-1) → Beta-pinene (177698-19-0,25719-60-2) + Terpinolene (586-62-9,69073-38-7) + 4-methylisopropylbenzene (99-87-6) + camphene (79-92-5) + limonene. (138-86-3,555-08-8,8022-90-0,9003-73-0,95327-98-3) + 3-carene (13466-78-9,19079-29-9)

Guidance literature:

With Zr⁴⁺/natural zeolite (concentration of Zr 11%); at 150 ℃; for 3h; Temperature; Reagent/catalyst; Catalytic behavior;

DOI:10.14233/ajchem.2017.20552

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

D-limonene

formic acid

Downstream raw materials:

(1-methyl-1-p-tolyl-ethyl)-succinic acid

2-(5-isopropyl-2-methyl-benzoyl)-benzoic acid

4-methyl-4-p-tolyl-[1,3]dioxane

5-isopropyl-2-methylbenzyl chloride

Refernces

• 1、 Goerissen, Ralf,Koelle, Ulrich,Spaniol, Thomas P.. "". . p. 2317 - 2320. Retrieved 1992.
• 2、 Neumann, Ronny,Levin, Michal. "Aerobic oxidative dehydrogenations catalyzed by the mixed-addenda heteropolyanion PV2Mo10O405-: A kinetic and mechanistic study". . p. 7278 - 7286. Retrieved 1992.
• 3、 Foti, Mario C.,Ingold. "Unexpected Superoxide Dismutase Antioxidant Activity of Ferric Chloride in Acetonitrile". . p. 9162 - 9165. Retrieved 2003.
• 4、 Ipatieff,Pines,Olberg. "-". . p. 694,695. Retrieved 1945.
• 5、 ?ilková, Nadě?da,Eliá?ová, Pavla,Al-Khattaf, Sulaiman,Morris, Russell E.,Mazur, Michal,?ejka, Ji?í. "The effect of UTL layer connectivity in isoreticular zeolites on the catalytic performance in toluene alkylation". . p. 55 - 60. Retrieved 2016.
• 6、 Dodge. "-". . p. 561. Retrieved 1890.
• 7、 Foti, Mario C.,Sortino, Salvatore,Ingold. "New insight into solvent effects on the formal HOO. + HOO . reaction". . p. 1942 - 1948. Retrieved 2005.
• 8、 Foti, Mario C.,Ingold. "Mechanism of inhibition of lipid peroxidation by γ-terpinene, an unusual and potentially useful hydrocarbon antioxidant". . p. 2758 - 2765. Retrieved 2003.
• 9、 Sortino, Salvatore,Petralia, Salvatore,Foti, Mario C.. "Absolute rate constants and transient intermediates in the free-radical-induced peroxidation of γ-terpinene, an unusual hydrocarbon antioxidant". . p. 1563 - 1567. Retrieved 2003.
• 10、 Mann,Montonna,Larian. "". . p. 598,600. Retrieved 1936.