Bicyclohexyl

Base Information

• Chemical Name: Bicyclohexyl
• CAS No.: 92-51-3
• Molecular Formula: C12H22
• Molecular Weight: 166.307
• Hs Code.: 2902199090
• European Community (EC) Number: 202-161-4
• NSC Number: 59855
• UNII: Y77501141O
• DSSTox Substance ID: DTXSID8021802
• Nikkaji Number: J21.936C
• Wikipedia: Bicyclohexyl
• Wikidata: Q21099094
• ChEMBL ID: CHEMBL1231413
• Mol file: 92-51-3.mol

Synonyms:Bicyclohexyl;92-51-3;1,1'-Bicyclohexyl;DICYCLOHEXYL;Cyclohexylcyclohexane;Bicyclohexane;Dicyclohexane;Dodecahydrobiphenyl;Cyclohexane, cyclohexyl-;1,1'-Biphenyl, dodecahydro-;NSC 59855;1,1'-BI(CYCLOHEXYL);EINECS 202-161-4;MFCD00003815;AI3-01174;DTXSID8021802;UNII-Y77501141O;NSC-59855;Y77501141O;Biciclohexil;Diciclohexano;Diciclohexil;bicyclohexyl-;bi(cyclohexane);1, dodecahydro-;cyclohexylcyclohexan;1,1-Bicyclohexyl;ciclohexilciclohexano;1,1'-biciclohexil;Bicyclohexyl, 99%;Cyclohexyl Cyclohexane;ciclohexano ciclohexil-;Cyclohexane cyclohexyl-;1,1'-Bi(cyclohexane);Bicyclohexyl (6CI8CI);11'-Biphenyl dodecahydro-;1,1'-bifenil, dodecahidro-;DTXCID501802;CHEMBL1231413;NSC59855;Tox21_302104;Dicyclohexyl;(Cyclohexylcyclohexane);AKOS005207082;CAS-92-51-3;NCGC00255206-01;BS-29633;SY012941;LS-184861;B0902;CS-0081506;FT-0624222;N10369;W-109341;Q21099094;Dicyclohexyl, United States Pharmacopeia (USP) Reference Standard

Chemical Property of Bicyclohexyl

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.0633mmHg at 25°C
• Melting Point: 3-4 °C(lit.)
• Refractive Index: n20/D 1.478(lit.)
• Boiling Point: 239 °C at 760 mmHg
• Flash Point: 92.2 °C
• PSA: 0.00000
• Density: 0.891 g/cm³
• LogP: 4.14700
• Storage Temp.: Store below +30°C.
• Solubility.: Difficult to mix.
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 166.172150702
• Heavy Atom Count: 12
• Complexity: 100

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N
• Statements: 50-50/53
• Safety Statements: 23-24/25-61-60

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: C1CCC(CC1)C2CCCCC2

Technology Process of Bicyclohexyl

There total 316 articles about Bicyclohexyl 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: 90.0%

cyclohexane (110-82-7,25012-93-5) + percarbonate de O,O-t-butyle et O-vinyle (85684-59-9) → 3-oxobutyraldehyde (625-34-3) + butanedial (638-37-9) + cyclohexylcyclohexane (92-51-3) + cyclohexylacetaldehyde (5664-21-1) + acetone (67-64-1) + tert-butyl alcohol (75-65-0)

Guidance literature:

at 140 ℃; for 3.5h; Product distribution; Mechanism; sealed tube;

Reference yield: 49.0%

methanol (67-56-1) + cyclohexene (110-83-8) → cyclohexylcyclohexane (92-51-3) + bicyclohexyl-2,2'-diene (1541-20-4) + 2-cyclohexyl-cyclohexene (1808-09-9) + cyclohexylmethyl alcohol (100-49-2)

Guidance literature:

With europium(III) chloride; In methanol; for 8h; Further byproducts given; Irradiation;

DOI:10.1246/bcsj.59.1195

Reference yield: 49.0%

methanol (67-56-1) + cyclohexene (110-83-8) → cyclohexylcyclohexane (92-51-3) + bicyclohexyl-2,2'-diene (1541-20-4) + 2-cyclohexyl-cyclohexene (1808-09-9) + 3-hydroxymethylcyclohexene (103668-33-3,3309-97-5) + cyclohexylmethyl alcohol (100-49-2)

Guidance literature:

With europium(III) chloride; for 8h; Product distribution; Mechanism; Irradiation; also other alkenes and reaction conditions;

DOI:10.1246/bcsj.59.1195

upstream raw materials:

phosgene

cyclohexyl chloride

methylmagnesium bromide

1-bromocyclohexane

Downstream raw materials:

biphenyl

1-phenyl-1-cyclohexane

(2-methylcyclopentyl)cyclohexane

1-cyclohexyl-6-hydroxyhexan-1-one

Refernces

• 1、 Nojima,M. et al.. "". . p. 3966 - 3969. Retrieved 1966.
• 2、 Leber, Phyllis A.,Bogdan, Andrew R.,Powers, David C.,Baldwin, John E.. "Thermal isomerizations of cis,anti,cis-tricyclo[6.4.0.02,7]dodec-3-ene?to trans- and cis,endo-tricyclo[6.2.2.02,7]dodec-9-ene: diradical conformations and stereochemical outcomes in [1,3] carbon shifts". . p. 6331 - 6338. Retrieved 2007.
• 3、 Bamford,Mahmud. "". . p. 762. Retrieved 1972.
• 4、 Kokliukhin,Nikulshina,Mozhaev,Lancelot,Lamonier,Nuns,Blanchard,Bugaev,Nikulshin. "Bulk hydrotreating MonW12-nS2 catalysts based on SiMonW12-n heteropolyacids prepared by alumina elimination method". . p. 26 - 37. Retrieved 2020/08/21.
• 5、 -. "Aromatic compound hydrogenation and hydrodeoxygenation method and application thereof". Paragraph 0094-0097; 0100-0104. . Retrieved 2021/05/29.