Basic information
- Name:
2-Furanmethanol,tetrahydro-
- Superlist Name:
- Tetrahydrofurfuryl alcohol
- CAS No.:
97-99-4
- Molecular Structure:
- Formula:
- C5H10O2
- Molecular Weight:
- 102.13
- Deleted CAS:
- 72074-94-3|82853-20-1
- Synonyms:
- Furfurylalcohol, tetrahydro- (8CI);(Tetrahydrofuran-2-yl)methanol;2-(Hydroxymethyl)tetrahydrofuran;NSC 15434;QO THFA;Rac-(Tetrahydrofuran-2-yl)methanol;THFA;Tetrahydro-2-furancarbinol;Tetrahydro-2-furanylmethanol;
- EINECS:
- 202-625-6
- Density:
- 1.039 g/cm3
- Melting Point:
- -80 °C
- Boiling Point:
- 176.818 °C at 760 mmHg
- Flash Point:
- 83.889 °C
- Solubility:
- soluble in water
- Appearance:
- Colorless to light yellow liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36
- Safety Description:
- 39 Details
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Chemistry
Molecular Structure of Tetrahydrofurfuryl alcohol (CAS No.97-99-4):
Molecular Formula: C5H10O2
Molecular Weight: 102.13
IUPAC Name: Oxolan-2-ylmethanol
CAS No: 97-99-4
EINECS: 202-625-6
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 18.46 Å2
Index of Refraction: 1.447
Molar Refractivity: 26.28 cm3
Molar Volume: 98.3 cm3
Surface Tension: 39 dyne/cm
Density: 1.038 g/cm3
Flash Point: 83.9 °C
Enthalpy of Vaporization: 48.09 kJ/mol
Boiling Point: 176.8 °C at 760 mmHg
Vapour Pressure: 0.326 mmHg at 25°C
Melting Point: -80 ºC
Refractive Index: 1.451-1.453
Water Solubility: Soluble
Sensitive: Hygroscopic
Appearance: Colorless to light yellow liquid
Classification Code: Skin/Eye Irritant
Product Categories: Furan Benzofuran;Furans
InChI: InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
InChIKey: BSYVTEYKTMYBMK-UHFFFAOYAA
Std. InChI: InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
Std. InChIKey: BSYVTEYKTMYBMK-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4658, 1982. | |
| guinea pig | LD50 | oral | 800mg/kg (800mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4658, 1982. | |
| guinea pig | LD50 | skin | 5gm/kg (5000mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4658, 1982. | |
| mouse | LD50 | oral | 2300mg/kg (2300mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | Hygiene and Sanitation Vol. 32(2), Pg. 273, 1967. |
| rabbit | LD50 | intravenous | 725mg/kg (725mg/kg) | Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 8, Pg. 294, 1949. | |
| rat | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4658, 1982. | |
| rat | LD50 | oral | 1600mg/kg (1600mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4658, 1982. |
Consensus Reports
Tetrahydrofurfuryl alcohol is reported in EPA TSCA Inventory.
Safety Profile
Safety Information of Tetrahydrofurfuryl alcohol (CAS No.97-99-4):
Hazard Codes: 
Xi
Risk Statements: 36
R36:Irritating to eyes.
Safety Statements: 39
S39:Wear eye / face protection.
WGK Germany: 2
RTECS: LU2450000
HS Code: 29321300
Hazardous Substances Data: 97-99-4(Hazardous Substances Data)
Specification
Tetrahydrofurfuryl alcohol (CAS No.97-99-4), it also can be called Tetrahydro-2-furanmethanol ; THFA .
Tetrahydrofurfuryl alcohol (CAS No.97-99-4) is a clear colorless liquid with a mild odor. its flash point 167°F, its vapors are heavier than air, it is denser than water and it is soluble in water . Tetrahydrofurfuryl alcohol (CAS No.97-99-4),inhalation or contact with it may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
An organism tentatively identified as Ralstonia eutropha was isolated from enrichment cultures containing Tetrahydrofurfuryl alcohol (THFA) as the sole source of carbon and energy. The strain was able to tolerate up to 200 mM THFA in mineral salt medium. The degradation was initiated by an inducible ferricyanide-dependent alcohol dehydrogenase (ADH) which was detected in the soluble fraction of cell extracts. The enzyme catalyzed the oxidation of THFA to the corresponding tetrahydrofuran-2-carboxylic acid. Studies with n-pentanol as the substrate revealed that the corresponding aldehyde was released as a free intermediate. The enzyme was purified 211-fold to apparent homogeneity and could be identified as a quinohemoprotein containing one pyrroloquinoline quinone and one covalently bound heme c per monomer. It was a monomer of 73 kDa and had an isoelectric point of 9.1. A broad substrate spectrum was obtained for the enzyme, which converted different primary alcohols, starting from C2 compounds, secondary alcohols, diols, polyethylene glycol 6000, and aldehydes, including formaldehyde. A sequence identity of 65% with a quinohemoprotein ADH from Comamonas testosteroni was found by comparing 36 N-terminal amino acids. The ferricyanide-dependent ADH activity was induced during growth on different alcohols except ethanol. In addition to this activity, an NAD-dependent ADH was present depending on the alcohol used as the carbon source.