Furfuryl alcohol

Base Information

• Chemical Name: Furfuryl alcohol
• CAS No.: 98-00-0
• Deprecated CAS: 1262335-14-7
• Molecular Formula: C5H6O2
• Molecular Weight: 98.1014
• Hs Code.: 2932 13 00
• European Community (EC) Number: 202-626-1
• ICSC Number: 0794
• NSC Number: 8843
• UN Number: 2874
• UNII: D582054MUH
• DSSTox Substance ID: DTXSID2025347
• Nikkaji Number: J3.578E
• Wikipedia: Furfuryl_alcohol
• Wikidata: Q27335
• Metabolomics Workbench ID: 46445
• ChEMBL ID: CHEMBL308187
• Mol file: 98-00-0.mol

Synonyms:2-furancarbinol;2-furylcarbinol;furfuryl alcohol

Chemical Property of Furfuryl alcohol

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.5 mm Hg ( 20 °C)
• Melting Point: -29 °C
• Refractive Index: n20/D 1.486(lit.)
• Boiling Point: 169.999 °C at 760 mmHg
• PKA: 14.02±0.10(Predicted)
• Flash Point: 65 °C
• PSA: 33.37000
• Density: 1.14 g/cm³
• LogP: 0.77190
• Storage Temp.: 2-8°C
• Solubility.: alcohol: soluble
• Water Solubility.: MISCIBLE
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 98.036779430
• Heavy Atom Count: 7
• Complexity: 54
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

FurfurylAlcohol(1mg/Linacetonitrile) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T
• Statements: 20/21/22-48/20-40-36/37-23-21/22
• Safety Statements: 23-36/37/39-63-45-36/37-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C1=COC(=C1)CO
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking. Repeated or prolonged contact with skin may cause dermatitis. The substance may have effects on the upper respiratory tract and kidneys. This substance is possibly carcinogenic to humans.
• Description: Furfuryl alcohol is clear colorless organic liquid having a furan substituted with a hydroxymethyl group. It is primarily used for the synthesis of furans resins which are used in thermoset polymer matrix composites, cements, adhesive and coatings. It plays an essential role in the production of foundry sand binder and has long been used to produce cores and molds for metal casting. Other applications include as a fuel and wood treatment. In industry, it is manufactured through either direct reduction of furfural, or through the disproportionation via the Cannizaro reaction in NaOH solution. The basic raw materials for its manufacturing are waste vegetable materials such as rice hulls, sugar cane bagasse, oat hulls or corncobs.
• Physical properties: Clear, colorless to pale yellow liquid with an irritating odor. Darkens to yellowish-brown on exposure to air. A detection odor threshold concentration of 32 mg/m3 (8.0 ppmv) was determined by Jacobson et al. (1958).
• Uses: Colorless liquid that turns dark in air Furfuryl Alcohol has been obtained by yeast reduction of furfural. Furfuryl Alcohol is used as solvent and in the manufacturing of wetting agents, resins. Solvent; manufacture of wetting agents, resins.

Technology Process of Furfuryl alcohol

There total 362 articles about Furfuryl alcohol 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: 62.0%

5-hydroxymethyl-2-furfuraldehyde (67-47-0) → (2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + 2,5-dimethylfuran (625-86-5) + 2-hydroxymethyl-5-methylfuran (3857-25-8)

Guidance literature:

With isopropyl alcohol; In decane; at 160 ℃; for 8h; under 15001.5 Torr; Autoclave; Inert atmosphere;

Reference yield:

furfural (98-01-1) + methanol (67-56-1) → (2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + 2-furoic acid methyl ester (611-13-2)

Guidance literature:

With magnesium oxide; at 100 - 160 ℃; for 3h; under 45004.5 Torr; Temperature; Time; Pressure; Inert atmosphere; Autoclave;

Reference yield:

5-hydroxymethyl-2-furfuraldehyde (67-47-0) + isopropyl alcohol (67-63-0,8013-70-5) → 2,5-dimethyltetrahydrofuran (1003-38-9) + (2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + 2,5-dimethylfuran (625-86-5) + 2,5-bis-(hydroxymethyl)furan (1883-75-6) + n-hexan-2-ol (626-93-7) + hexane (110-54-3) + n-hexan-2-one (591-78-6) + 2-hydroxymethyl-5-methylfuran (3857-25-8) + 5-hydroxymethyl-2-[(1-methylethoxy)methyl]furan (113983-99-6)

Guidance literature:

With platinum embedded nanoporous carbon; hydrogen; at 100 ℃; for 1h; under 22502.3 Torr; Reagent/catalyst; Autoclave;

DOI:10.1002/chem.202101470

upstream raw materials:

furfural

formaldehyd

aluminum ethoxide

acetaldehyde

Downstream raw materials:

2,2'-difurylmethane

2,5-Bis<(furfuryl)furan>

2,5-Bis-(5-furfuryl-furfuryl)-furan

1,1'-Methylenebis<5-(furfuryl)furan>

Refernces

• 1、 Han, Buxing,He, Mingyuan,Mei, Xuelei,Wu, Haihong,Wu, Wei,Xu, Caiyun,Zhai, Jianxin,Zhang, Kaili,Zhang, Zhanrong,Zheng, Bingxiao. "Highly effective and chemoselective hydrodeoxygenation of aromatic alcohols". . p. 1629 - 1635. Retrieved 2022/02/21.
• 2、 Zuo, Lu-Jie,Xu, Shi-Long,Wang, Ao,Yin, Peng,Zhao, Shuai,Liang, Hai-Wei. "High-Temperature Synthesis of Carbon-Supported Bimetallic Nanocluster Catalysts by Enlarging the Interparticle Distance". supporting information. p. 2719 - 2723. Retrieved 2022/02/16.