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Substance Name: 3-Pentanol
RN: 584-02-1
UNII: X4ELC182I5
InChIKey: AQIXEPGDORPWBJ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H12-O

Molecular Weight

  • 88.1488
 
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Names and Synonyms

Name of Substance

  • 3-Pentanol

Synonyms

  • 3-Pentyl alcohol
  • 4-01-00-01662 (Beilstein Handbook Reference)
  • AI3-24335
  • BRN 1730964
  • Diethyl carbinol
  • EINECS 209-526-7
  • Isoamyl alcohol
  • NSC 8654
  • Pentanol-3
  • sec-Amyl alcohol
  • sec-Pentanol
  • sec-Pentyl alcohol
  • UNII-X4ELC182I5

Systematic Name

  • 3-Pentanol

Superlist Names

  • 3-Pentanol
  • Diethyl carbinol
  • Isoamyl alcohol (primary/secondary)
  • sec-Amyl alcohol

Registry Numbers

CAS Registry Number

  • 584-02-1

FDA UNII

  • X4ELC182I5

System Generated Number

  • 0000584021

Structure Descriptors

InChI

1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

InChIKey

AQIXEPGDORPWBJ-UHFFFAOYSA-N

Smiles

C(CC)(CC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2520uL/kg (2.52mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 1870mg/kg (1870mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LDLo intraperitoneal 1950mg/kg (1950mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.90E+01 deg C   EXP
Boiling Point 116.2 deg C   EXP
log P (octanol-water) 1.21 (none)   EXP
Water Solubility 5.15E+04 mg/L 25 EXP
Vapor Pressure 8.77 mm Hg 25 EXP
Henry's Law Constant 1.98E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.22E-11 cm3/molecule-sec 25 EXP

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