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Substance Name: Tetrahydropyran-2-methanol
RN: 100-72-1
UNII: JR71SUM5E9
InChIKey: ROTONRWJLXYJBD-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.159
 
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Names and Synonyms

Name of Substance

  • Tetrahydropyran-2-methanol

Synonyms

  • 2-Hydroxymethyltetrahydropyran
  • 2-Methanol tetrahydropyran
  • 2-Methyloltetrahydro-1,4-pyran
  • 2-Tetrahydropyranilcarbinol
  • 5-17-03-00136 (Beilstein Handbook Reference)
  • AI3-14307
  • BRN 0102998
  • EINECS 202-882-4
  • NSC 5221
  • Pyran-2-methanol, tetrahydro-
  • Tetrahydropyran-2-carbinol
  • Tetrahydropyran-2-methanol
  • Tetrahydropyranyl-2-methanol
  • UNII-JR71SUM5E9

Systematic Names

  • 2H-Pyran-2-methanol, tetrahydro-
  • Tetrahydropyran-2-ylmethanol

Registry Numbers

CAS Registry Number

  • 100-72-1

FDA UNII

  • JR71SUM5E9

System Generated Number

  • 0000100721

Structure Descriptors

InChI

1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2

InChIKey

ROTONRWJLXYJBD-UHFFFAOYSA-N

Smiles

C1[C@@H](OCCC1)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2870mg/kg (2870mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.
rabbit LD50 skin 4mL/kg (4mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 3730mg/kg (3730mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 185 deg C   EXP
log P (octanol-water) 0.380 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 0.1 mm Hg 20 EXP
Henry's Law Constant 1.53E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.59E-11 cm3/molecule-sec 25 EST

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