Cyclopentane, 1,2,3-trimethyl-, (1alpha,2beta,3alpha)-

Base Information

• Chemical Name: Cyclopentane, 1,2,3-trimethyl-, (1alpha,2beta,3alpha)-
• CAS No.: 2613-69-6
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2902199090
• European Community (EC) Number: 689-391-2,689-393-3
• DSSTox Substance ID: DTXSID101025626,DTXSID501025723
• Nikkaji Number: J43.367E,J110.414D
• Mol file: 2613-69-6.mol

Synonyms:19374-46-0;(1S,3R)-1,2,3-trimethylcyclopentane;Cyclopentane, 1,2,3-trimethyl-, cis-1,2,cis-1,3-;(1R,3S)-1,2,3-trimethylcyclopentane;Cyclopentane, 1,2,3-trimethyl-, (1alpha,2beta,3alpha)-;Cyclopentane, 1,2,3-trimethyl-, (1.alpha.,2.alpha.,3.alpha.)-;Cyclopentane, 1,2,3-trimethyl-, (1.alpha.,2.beta.,3.alpha.)-;2613-69-6;Rel-(1R,2s,3S)-1,2,3-trimethylcyclopentane;(1alpha,2alpha,3alpha)-1,2,3-Trimethylcyclopentane;1,cis-2,cis-3-trimethylcyclopentane;1,2,3-Trimethylcyclopentane, (Z,Z)-;1,2,3-Trimethylcyclopentane, cis, cis;15890-40-1;starbld0004366;CIS,CIS,TRANS-1,2,3-TRIMETHYLCYCLOPENTANE;VCWNHOPGKQCXIQ-JIGDXULJSA-N;VCWNHOPGKQCXIQ-RNLVFQAGSA-N;DTXSID101025626;DTXSID501025723;AKOS006271786;AKOS006273275;1alpha,2beta,3alpha-Trimethylcyclopentane;Cis,cis,trans-1,2,3-trimethyl cyclopentane;(1alpha,2beta,3alpha)-1,2,3-Trimethylcyclopentane;cyclopentane, 1,2,3-trimethyl-, trans-1,2,cis-1,3-

Chemical Property of Cyclopentane, 1,2,3-trimethyl-, (1alpha,2beta,3alpha)-

Chemical Property:

• Vapor Pressure: 21.762mmHg at 25°C
• Melting Point: -116.43°C
• Refractive Index: 1.414
• Boiling Point: 116.338 °C at 760 mmHg
• Flash Point: 9.244 °C
• PSA: 0.00000
• Density: 0.755 g/cm³
• LogP: 2.68850
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, Mesitylene, Methanol
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 66.1

Purity/Quality:

99% ^*data from raw suppliers

1-cis-2-cis-3-Trimethylcyclopentane(~25%solutioninMesitylene)(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCC(C1C)C
• Isomeric SMILES: C[C@@H]1CC[C@@H](C1C)C
• Uses: 1-cis-2-cis-3-Trimethylcyclopentane, is one of the potential volatile compounds migrants from acrylic-base adhesives used in food-contact materials.

Technology Process of Cyclopentane, 1,2,3-trimethyl-, (1alpha,2beta,3alpha)-

There total 6 articles about Cyclopentane, 1,2,3-trimethyl-, (1alpha,2beta,3alpha)- 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:

(1α,2β,3α)-1,2,3-trimethyl-cyclopentane (19374-46-0) → o-xylene (95-47-6) + (1α,2α,3α)-1,2,3-trimethyl-cyclopentane (2613-69-6) + m-xylene (108-38-3,104809-90-7)

Guidance literature:

at 350 ℃;

DOI:10.1021/j150574a007

Reference yield:

(+/-)-1r,2,3t-trimethyl-cyclopentane (15890-40-1) → o-xylene (95-47-6) + (1α,2β,3α)-1,2,3-trimethyl-cyclopentane (19374-46-0) + (1α,2α,3α)-1,2,3-trimethyl-cyclopentane (2613-69-6) + m-xylene (108-38-3,104809-90-7)

Guidance literature:

at 350 ℃;

DOI:10.1021/j150574a007

Reference yield:

ethanol (64-17-5) + 2,3,4-trimethylcyclopent-2-en-1-one (28790-86-5) → (1α,2β,3α)-1,2,3-trimethyl-cyclopentane (19374-46-0) + (1α,2α,3α)-1,2,3-trimethyl-cyclopentane (2613-69-6)

Guidance literature:

at 20 - 50 ℃; under 73550.8 Torr; Hydrogenation;

upstream raw materials:

(1α,2β,3α)-1,2,3-trimethyl-cyclopentane

ethanol

2,3,4-trimethylcyclopent-2-en-1-one

(+/-)-1r,2,3t-trimethyl-cyclopentane

Downstream raw materials:

2,3,4-trimethylpentane

(1α,2β,3α)-1,2,3-trimethyl-cyclopentane

(+/-)-1r,2,3t-trimethyl-cyclopentane

o-xylene