furan-2-ylmethanol

• ChemBase ID: 80495
• Molecular Formular: C5H6O2
• Molecular Mass: 98.09994
• Monoisotopic Mass: 98.03677943
• SMILES: o1c(ccc1)CO
• Canonical SMILES: OCc1ccco1
• InChI: InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
• InChIKey: XPFVYQJUAUNWIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-ylmethanol
• IUPAC Traditional name: furfuryl alcohol
• Synonyms: 2-Furanmethanol; 2-Furanylmethanol; 2-Furfuryl Alcohol; 2-Furylcarbinol; 2-Furylmethanol; 2-Furylmethyl Alcohol; 5-Hydroxymethylfuran; Chem-Rez 200; Furfuralcohol; Furfuranol; Furylcarbinol; NSC 8843; α-Furfuryl Alcohol; α-Furylcarbinol; Furfuryl alcohol; 2-(Hydroxymethyl)furan; (Fur-2-yl)methanol; Furfuryl alcohol; 2-(Hydroxymethyl)furan; 2-furancarbinol; Furfuryl alcohol; 2-(羟甲基)呋喃; 糠醇

Database IDs

• CAS Number: 98-00-0
• EC Number: 202-626-1
• MDL Number: MFCD00003252
• Beilstein Number: 106291
• Merck Index: 144305
• PubChem SID: 24900972; 162067615; 24851190; 24894803
• PubChem CID: 7361
• CHEBI ID: 207496
• CHEMBL: 308187
• Chemspider ID: 7083
• FEMA ID: 2491
• Unique Ingredient Identifier: D582054MUH
• Wikipedia Title: Furfuryl_alcohol
• Council of Europe Number: 2023
• Flavis Number: 13.019

CALCULATED PROPERTIES

• Acid pKa: 13.748643
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2661427
• LogD (pH = 7.4): 0.2661425
• Log P: 0.2661427
• Molar Refractivity: 25.2648 cm^3
• Polarizability: 9.67314 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: miscible in water
• Melting Point: -29 °C(lit.); -29°C; -31°C
• Boiling Point: 170 °C(lit.); 170°C; 170-171°C
• Flash Point: 149 °F; 65 °C; 65°C; 65°C(149°F)
• Auto Ignition Point: 915 °F
• Density: 1.128 g/cm^3; 1.129; 1.135; 1.135 g/mL at 25 °C(lit.)
• Refractive Index: 1.4860; 1.4870; n20/D 1.486; n20/D 1.486(lit.); n20/D 1.487
• Vapor Pressure: 0.5 mmHg ( 20 °C); 1 mmHg ( 32 °C); 5.5 mmHg ( 55 °C)
• Vapor Density: 3.4 (vs air)

Safety Information

• Storage Warning: Toxic/Carcinogenic/Harmful/Air Sensitive/Light Sensitive/Store under Argon
• RTECS: LU9100000
• European Hazard Symbols: Toxic (T)
• UN Number: 2874; UN2874
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 21/22-23-36/37-40-48/20
• Safety Statements: 36/37-45-63
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  2

  3

  1
• Explode Limits: 16.3 %
• GHS Hazard statements: H301-H311-H330-H319-H335-H351-H373-H227; H302-H312-H319-H331-H335-H351-H373
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P311; P280H-P304+P340-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2874 6.1/PG 3
• Storage Temperature: 2-8°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR (175.105)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥97.0% (GC); ≥98%; ≥98.0% (GC); 98%
• Grade: Halal; Kosher; NI; purum; technical
• Empirical Formula (Hill Notation): C5H6O2

DETAILS

Sigma Aldrich - F19906

Packaging
1 kg in glass bottle
25 g in glass bottle

Sigma Aldrich - W249106

Packaging
1 kg in glass bottle
Packaged in glass bottles
1 sample in glass bottle
5, 10, 25 kg in steel drum

Sigma Aldrich - 185930

Packaging
1 kg in glass bottle
50, 250 g in glass bottle

Toronto Research Chemicals - F864220

Furfuryl Alcohol has been obtained by yeast reduction of furfural. Furfuryl Alcohol is used as solvent and in the manufacturing of wetting agents, resins.

REFERENCES

• Basketter, D., et al.: J. Appl. Toxicol., 19, 261 (1999)
• Butler, J., et al.: J. Immunoassay, 21, 165 (1999)
• Frederick, C., et al.: Toxicol. Appl. Pharmacol., 183, 23 (1999)
• Johnson, V., et al.: J. Immunol., 179, 1864 (1999)