1,4-Cyclohexanedimethanol

Base Information

• Chemical Name: 1,4-Cyclohexanedimethanol
• CAS No.: 105-08-8
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• Hs Code.: 29061990
• European Community (EC) Number: 203-268-9
• NSC Number: 44508
• UNII: 47A69Y3G5M,7I8476P8P0
• DSSTox Substance ID: DTXSID9026712,DTXSID00274143,DTXSID60274144
• Nikkaji Number: J48.546B,J80.669B,J80.670F
• Wikipedia: Cyclohexanedimethanol
• Wikidata: Q1064929,Q27259032,Q27268338
• ChEMBL ID: CHEMBL3185118
• Mol file: 105-08-8.mol

Synonyms:1,4-cyclohexanedimethanol;cyclohexanedimethanol

Chemical Property of 1,4-Cyclohexanedimethanol

Chemical Property:

• Appearance/Colour: clear colourless viscous liquid
• Vapor Pressure: 0.000303mmHg at 25°C
• Melting Point: 31.5 °C
• Refractive Index: 1.47
• Boiling Point: 286.2 °C at 760 mmHg
• PKA: 14.75±0.10(Predicted)
• Flash Point: 161.1 °C
• PSA: 40.46000
• Density: 1.004 g/cm³
• LogP: 0.77740
• Storage Temp.: Store below +30°C.
• Solubility.: >34g/l soluble
• Water Solubility.: MISCIBLE
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 73.3

Purity/Quality:

99% ^*data from raw suppliers

1,4-Cyclohexanedimethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36:
• Hazard Codes: Xi
• Statements: 36-41
• Safety Statements: 22-24/25-39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C1CC(CCC1CO)CO
• Uses: 1,4-cyclohexanedimethanol is used to make polyester fiber, polyester electrical appliances, unsaturated polyester resins, polyester glaze, polyurethane foam, as well as for the production of lubricants and hydraulic fluids.

Technology Process of 1,4-Cyclohexanedimethanol

There total 26 articles about 1,4-Cyclohexanedimethanol 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: 100.0%

cyclohexane-1,4-dicarboxylic acid (619-81-8,619-82-9,1076-97-7) → bis-1,4-(hydroxymethyl)cyclohexane (105-08-8)

Guidance literature:

With tin; hydrogen; at 220 ℃; for 0.75h; under 90009 Torr; Temperature; Pressure;

Reference yield: 92.0%

p-xylylene glycol (589-29-7) → bis-1,4-(hydroxymethyl)cyclohexane (105-08-8)

Guidance literature:

With Ru/Al₂O₃; hydrogen; In tetrahydrofuran; at 60 ℃; for 3.5h; under 7.50075 Torr; Pressure; Autoclave;

Reference yield: 87.1%

Bis(2-Hydroxyethyl)terephthalat (959-26-2) → bis-1,4-(hydroxymethyl)cyclohexane (105-08-8)

Guidance literature:

Bis(2-Hydroxyethyl)terephthalat; With tin(II) chloride dihdyrate; ruthenium(III) chloride trihydrate; alumina; Cl₆H₆Pt^(2-)*2H⁽¹⁺⁾*6H₂O; hydrogen; In water; at 180 - 260 ℃; for 10h; under 37503.8 Torr; Autoclave;

With sodium tetrahydroborate; sodium hydroxide; at 500 ℃; for 5.5h; pH=9; Reagent/catalyst; Concentration; Temperature;

upstream raw materials:

1,4-benzenedicarboxylic acid dimethyl ester

cyclohexane-1,4-dicarboxylic acid

dimethyl 1,4-cyclohexane dicarboxylate

terephthalic acid

Downstream raw materials:

trans-1,4-bis(9-phenylfluoren-9-yloxymethyl)cyclohexane

cis-1,4-bis(9-phenylfluoren-9-yloxymethyl)cyclohexane

(Z)-1,4-bis(bromomethyl)cyclohexane

trans-1,4-Bis(bromomethyl)cyclohexane

Refernces

• 1、 Hou, Danfeng,Xin, Jiayu,Lu, Xingmei,Guo, Xiaonan,Dong, Huixian,Ren, Baozeng,Zhang, Suojiang. "Conversion of bis(2-hydroxyethylene terephthalate) into 1,4-cyclohexanedimethanol by selective hydrogenation using RuPtSn/Al2O3". . p. 48737 - 48744. Retrieved 2016.
• 2、 Hu, Qi,Fan, Guoli,Yang, Lan,Li, Feng. "Aluminum-doped zirconia-supported copper nanocatalysts: Surface synergistic catalytic effects in the gas-phase hydrogenation of esters". . p. 3501 - 3510. Retrieved 2014.
• 3、 Zhang, Shaoyan,Fan, Guoli,Li, Feng. "Lewis-base-promoted copper-based catalyst for highly efficient hydrogenation of dimethyl 1,4-cyclohexane dicarboxylate". . p. 2389 - 2393. Retrieved 2013.
• 4、 Ichinohe,Ito. "". . p. 887. Retrieved 1964.
• 5、 Gong, Xiaoxiao,Wang, Meiling,Fang, Huihuang,Qian, Xiaoqi,Ye, Linmin,Duan, Xinping,Yuan, Youzhu. "Copper nanoparticles socketed in situ into copper phyllosilicate nanotubes with enhanced performance for chemoselective hydrogenation of esters". . p. 6933 - 6936. Retrieved 2017.
• 6、 Guo, Xiaonan,Xin, Jiayu,Lu, Xingmei,Ren, Baozeng,Zhang, Suojiang. "Preparation of 1,4-cyclohexanedimethanol by selective hydrogenation of a waste PET monomer bis(2-hydroxyethylene terephthalate)". . p. 485 - 492. Retrieved 2015.
• 7、 -. "DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES". Page/Page column 39; 100. . Retrieved 2020/01/24.