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

4-(5-isopropyl-2-methyl-phenyl)-4-oxo-butyric acid

(4-methoxyphenyl)(pyridin-2-yl)methanol

α-(2-methoxyphenyl)-2-pyridinemethanol

Refernces

Crucial role of the amidine moiety in methylenamino phosphine-type ligands for the synthesis of tethered η⁶-Arene-η¹-P ruthenium(II) complexes: Experimental and theoretical studies

10.1021/om900231c

The study focuses on the synthesis and characterization of ruthenium(II) complexes with methylenaminophosphine-type ligands, specifically exploring the role of the amidine moiety in these ligands for the formation of tethered η6-arene-η1-P ruthenium(II) complexes. The researchers used a variety of chemicals, including [(p-cymene)RuCl2]2 as a ruthenium precursor, PhC(H)dN-PPh2 and Ph2CdN-PPh2 as methylenaminophosphine ligands, and i-Pr2N-C(Ph)dN-PPh2 and i-Pr2N-C(Ph)dN-Pi-Pr2 as N-phosphino amidine ligands. These chemicals served the purpose of creating and analyzing different ruthenium complexes to understand their structural adaptive behavior and electronic properties, with the aim of improving the stability of arene ruthenium(II) complexes and potentially enhancing their performance in catalytic applications. The study combines experimental work with theoretical calculations, using techniques such as X-ray crystallography, NMR spectroscopy, and DFT calculations to gain insights into the structural and electronic properties of the complexes.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 99-87-6 p-Cymene

Send

Send

Metric Ton KG G Pound L ML

Send

Send