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97-99-4

Basic Information
CAS No.: 97-99-4
Name: 2-Furanmethanol,tetrahydro-
Article Data: 282
Cas Database
Molecular Structure:
Molecular Structure of 97-99-4 (2-Furanmethanol,tetrahydro-)
Formula: C5H10O2
Molecular Weight: 102.133
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;Tetrahydrofurfuryl alcohol;
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: IrritantXi
Risk Codes: 36
Safety: 39
Transport Information: N/A
PSA: 29.46000
LogP: 0.15770
Synthetic route
98-01-1

furfural

97-99-4

Tetrahydrofurfuryl alcohol

Conditions
ConditionsYield
With hydrogen In ethanol at 60℃; under 15001.5 Torr; for 4h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent; Pressure; Autoclave; Green chemistry;100%
With hydrogen In butan-1-ol at 80℃; under 30003 Torr; for 5h; Catalytic behavior; Temperature; Reagent/catalyst;99%
With hydrogen In isopropyl alcohol at 179.84℃; under 22502.3 Torr; for 1.25h; Reagent/catalyst;99%
98-00-0

(2-furyl)methyl alcohol

97-99-4

Tetrahydrofurfuryl alcohol

Conditions
ConditionsYield
With 3% Pd/C; hydrogen In isopropyl alcohol at 219.84℃; under 25858.1 Torr; for 5h; Inert atmosphere;100%
With hydrogen In isopropyl alcohol at 25℃; under 7500.75 Torr; for 3h; Green chemistry;100%
With palladium on activated charcoal; ammonia; hydrogen In tetrahydrofuran at 160℃; for 4h; Reagent/catalyst; Autoclave;100%
21915-56-0

5-hydroxy-1,2-epoxypentane

97-99-4

Tetrahydrofurfuryl alcohol

Conditions
ConditionsYield
With Hexafluorobenzene at 20℃; for 22h;100%
With C10H12NO(1+)*BF4(1-) In dichloromethane
With hydrogenchloride In water; tert-butyl alcohol at 20℃; for 2h; Green chemistry;
With Hexafluorobenzene In dichloromethane-d2 at 20℃; Kinetics; Reagent/catalyst; Solvent;
821-09-0

n-Pent-4-enyl alcohol

97-99-4

Tetrahydrofurfuryl alcohol

Conditions
ConditionsYield
With pyridine-3-carbonitrile; dihydrogen peroxide; methyltrioxorhenium(VII) In dichloromethane at 24℃; for 18h;97%
With C10H12NO(1+)*BF4(1-) In dichloromethane for 3.5h; Ambient temperature;95%
With molecular sieve; dihydrogen peroxide In water at 59.85℃; for 3h;99 % Chromat.
637-64-9

tetrahydrofurfuryl acetate

97-99-4

Tetrahydrofurfuryl alcohol

Conditions
ConditionsYield
With ytterbium(III) triflate In isopropyl alcohol for 8h; Deacetylation; Heating;95%
With MetProLeuAspGlnProThrAlaAlaPheLeuAspPheLeuArgSerSerGlyGlyLysProLeuTyrGluLeuProLeuAlaGluAlaArgAlaAlaMetAlaMetGlySerGlnLeuGlyAlaProProAlaAspValGlyArgIleValAspArgSerIleAspValProGlyGlyAlaValAlaLeuArgIleTyrThrProAlaThrThrLysAlaGlyGlyLeuLeuProAlaIleLeuGlnTyrHisGlyGlyGlyPheValLeuGlyAsnLeuAspThrHisGluSerIleAlaArgPheTyrCysAlaHisAlaGlyAlaValValIleSerValAspTyrArgLeuAlaProGluHisArgPheProThrGlnValGluAspSerPheAlaAlaLeuThrTrpValSerGluHisAlaSerGluLeuGlyValAspProAlaArgValAlaValAlaGlyAspSerAlaGlyGlyAsnLeuAlaThrValMetCysLeuLeuAlaLysAlaArgGlyGlyProArgIleAlaCysGlnAlaLeuLeuTyrProValAlaAspPheArgProGluGlnValTyrAlaSerHisAlaGlnPheGlyAspGlySerTyrPheLeuSerSerLysAspMetAspTrpPheArgAlaSerTyrPheThrAspValAlaSerGlnAlaAlaGluProThrAlaSerProMetAlaThrThrAspLeuSerGlyLeuProProAlaLeuValThrThrAlaGlyCysAspProLeuLeuAspGluGlyArgAlaTyrAlaAspArgLeuLysAlaAlaGlyValProValAspTyrArgCysPheGluThrThrIleHisAlaCysAlaSerPheAlaGlyThrIleProAlaGlyLeuAspMetLeuGlyPheValAlaAspTrpLeuAlaAlaHisThrLys In aq. phosphate buffer at 37℃; pH=7.5; Reagent/catalyst; Enzymatic reaction; enantioselective reaction;
710-14-5

tetrahydrofurfuryl tetrahydropyranyl ether

97-99-4

Tetrahydrofurfuryl alcohol

Conditions
ConditionsYield
With methanol; zirconium(IV) chloride at 20℃; for 7h;93%
98-01-1

furfural

A

97-99-4

Tetrahydrofurfuryl alcohol

B

7681-84-7

tetrahydrofuran-2-carbaldehyde

Conditions
ConditionsYield
With 5%-palladium/activated carbon; hydrogen In water at 2℃; under 60006 Torr; for 2h; Reagent/catalyst; Autoclave;A 91.9%
B n/a
With hydrogen In water at 1.84℃; under 60006 Torr; for 4h; Catalytic behavior; Autoclave;
With palladium on activated charcoal; hydrogen In toluene at 170℃; under 52505.3 Torr; for 1h; Solvent; Autoclave;A 52.2%Chromat.
B 7.6%Chromat.
98-01-1

furfural

A

97-99-4

Tetrahydrofurfuryl alcohol

B

4795-29-3

TETRAHYDROFURFURYLAMINE

Conditions
ConditionsYield
With ammonia; hydrogen In tetrahydrofuran at 180℃; for 12h; Autoclave;A 5.1%
B 91%
Multi-step reaction with 2 steps
1: ammonia; hydrogen / tetrahydrofuran / 2 h / 80 °C / Autoclave
2: ammonia; hydrogen / tetrahydrofuran / 24 h / 160 °C / Autoclave
View Scheme
98-01-1

furfural

A

97-99-4

Tetrahydrofurfuryl alcohol

B

98-00-0

(2-furyl)methyl alcohol

Conditions
ConditionsYield
With hydrogen at 90℃; under 15001.5 Torr; Reagent/catalyst;A 90.5%
B 8.4%
With hydrogen In butan-1-ol at 40℃; under 30003 Torr; for 7h; Catalytic behavior; Reagent/catalyst;A 12%
B 85%
With hydrogen In tetrahydrofuran at 175℃; under 7500.75 Torr; for 8h; Catalytic behavior; Pressure; Temperature; Time; chemoselective reaction;A 10%
B 79.5%
98-01-1

furfural

A

97-99-4

Tetrahydrofurfuryl alcohol

B

626-95-9

1,4-Pentanediol

Conditions
ConditionsYield
With carbon dioxide; hydrogen In water at 80℃; under 30003 Torr; for 20h; Catalytic behavior; Reagent/catalyst; Pressure; Temperature; Autoclave;A 9%
B 90%
With hydrogen In water at 140℃; under 11251.1 Torr; for 4h; Kinetics; Temperature; Autoclave;A 7%
B 87%
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    Product Name: Tetrahydrofurfuryl alcohol CAS: 97-99-4 MF: C5H10O2 MW: 102.13 EINECS: 202-625-6 Mol File: 97-99-4.mol Tetrahydrofurfuryl alcohol Structure Tetrahydrofurfuryl alcohol Chemical Properties Melting point -80 °C

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Consensus Reports

  Tetrahydrofurfuryl alcohol is reported in EPA TSCA Inventory.

Specification

1. Introduction of Tetrahydrofurfuryl alcohol

Tetrahydrofurfuryl alcohol, with its CAS No.97-99-4, is  is a kind of clear colorless liquid with a mild odorit. It also can be called Furfurylalcohol, tetrahydro- (8CI);(Tetrahydrofuran-2-yl)methanol;2-(Hydroxymethyl)tetrahydrofuran;NSC 15434;QO THFA;Rac-(Tetrahydrofuran-2-yl)methanol;THFA;Tetrahydro-2-furancarbinol and Tetrahydro-2-furanylmethanol.  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.

2. Properties of Tetrahydrofurfuryl alcohol

(1) H bond acceptors: 2  (2) H bond donors: 1 (3) Freely Rotating Bonds: 2
(4) Polar Surface Area: 18.46 Å2 (5) Index of Refraction: 1.447 (6) Molar Refractivity: 26.28 cm3
(7) Molar Volume: 98.3 cm3 (8) Surface Tension: 39 dyne/cm (9) Density: 1.038 g/cm3
(10) Flash Point: 83.9 °C (11) Enthalpy of Vaporization: 48.09 kJ/mol (12) Boiling Point: 176.8 °C at 760 mmHg
(13) Vapour Pressure: 0.326 mmHg at 25°C (14) Melting Point: -80 ºC
(15) Refractive Index: 1.451-1.453

3.Strucure descriptors of Tetrahydrofurfuryl alcohol

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

4. Safety information of Tetrahydrofurfuryl alcohol

Hazard Codes: Irritant
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)

5.Toxicity data of Tetrahydrofurfuryl alcohol

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.