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Substance Name: Propylethinylcarbinol
RN: 105-31-7
UNII: R9B2WH0KBL
InChIKey: LTFTWJYRQNTCHI-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Name of Substance

  • Propylethinylcarbinol

Synonyms

  • 1-Hexyne-3-ol
  • 1-Propylpropargyl alcohol
  • 3-Hydroxy-1-hexyne
  • 4-01-00-02234 (Beilstein Handbook Reference)
  • AI3-25134
  • BRN 1739419
  • EINECS 203-286-7
  • NSC 244896
  • Propylethinylcarbinol
  • UNII-R9B2WH0KBL

Systematic Name

  • 1-Hexyn-3-ol

Registry Numbers

CAS Registry Number

  • 105-31-7

FDA UNII

  • R9B2WH0KBL

Other Registry Number

  • 15352-98-4

System Generated Number

  • 0000105317

Structure Descriptors

InChI

1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3

InChIKey

LTFTWJYRQNTCHI-UHFFFAOYSA-N

Smiles

C([C@@H](C#C)O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00219,
mouse LD50 oral 210mg/kg (210mg/kg)   Therapie. Vol. 11, Pg. 692, 1956.
rabbit LD50 skin 15800ug/kg (15.8mg/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. 4675, 1982.
rat LD50 oral 126mg/kg (126mg/kg) LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
"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. 4674, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.00E+01 deg C   EXP
Boiling Point 142 deg C   EXP
log P (octanol-water) 0.980 (none)   EST
Water Solubility 3.80E+04 mg/L 20 EXP
Vapor Pressure 1.650 mm Hg 25 EST
Henry's Law Constant 1.37E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.82E-11 cm3/molecule-sec 25 EST

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