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Substance Name: Tetrahydrofurfuryl alcohol
RN: 97-99-4
UNII: XD95821VF9
InChIKey: BSYVTEYKTMYBMK-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 
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Names and Synonyms

Name of Substance

  • 2-Furanmethanol, tetrahydro-
  • Tetrahydro-2-furanmethanol
  • Tetrahydrofurfuryl alcohol

Synonyms

  • 2-(Hydroxymethyl)tetrahydrofuran
  • 2-Furanmethanol, tetrahydro-
  • 5-17-03-00115 (Beilstein Handbook Reference)
  • AI3-00104
  • BRN 0102723
  • CCRIS 2923
  • EC 202-625-6
  • EINECS 202-625-6
  • FEMA No. 3056
  • Furfuryl alcohol, tetrahydro-
  • HSDB 5314
  • NSC 15434
  • QO Thfa
  • Tetrahydro-2-furancarbinol
  • Tetrahydro-2-furanmethanol
  • Tetrahydro-2-furanylmethanol
  • Tetrahydro-2-furfuryl alcohol
  • Tetrahydro-2-furylmethanol
  • Tetrahydrofurfuryl alcohol
  • Tetrahydrofurfurylalkohol
  • Tetrahydrofurfurylalkohol [Czech]
  • Tetrahydrofuryl carbinol
  • Tetrahydrofurylalkohol
  • Tetrahydrofurylalkohol [Czech]
  • THFA
  • UNII-XD95821VF9

Systematic Names

  • 2-Furanmethanol, tetrahydro-
  • Furfuryl alcohol, tetrahydro- (8CI)
  • Tetrahydrofurfuryl alcohol

Superlist Names

  • 2-Furanmethanol, tetrahydro-
  • Furfuryl alcohol, tetrahydro-
  • Tetrahydrofurfuryl alcohol

Registry Numbers

CAS Registry Number

  • 97-99-4

FDA UNII

  • XD95821VF9

Other Registry Numbers

  • 72074-94-3
  • 82853-20-1

System Generated Number

  • 0000097994

Structure Descriptors

InChI

1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2

InChIKey

BSYVTEYKTMYBMK-UHFFFAOYSA-N

Smiles

C1[C@@H](OCC1)CO

Toxicity

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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.00E+01 deg C   EXP
Boiling Point 178 deg C   EXP
log P (octanol-water) -0.110 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 0.801 mm Hg 25 EXP
Henry's Law Constant 4.09E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.88E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.