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Substance Name: 4-Pentenal
RN: 2100-17-6
UNII: 71K1W8950B
InChIKey: QUMSUJWRUHPEEJ-UHFFFAOYSA-N

Molecular Formula

  • C5-H8-O

Molecular Weight

  • 84.1172
 
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Names and Synonyms

Name of Substance

  • 4-Pentenal

Synonyms

  • 4-01-00-03459 (Beilstein Handbook Reference)
  • 4-Pentenal
  • AI3-24690
  • BRN 1734369
  • EINECS 218-265-8
  • UNII-71K1W8950B

Systematic Name

  • 4-Pentenal

Registry Numbers

CAS Registry Number

  • 2100-17-6

FDA UNII

  • 71K1W8950B

System Generated Number

  • 0002100176

Structure Descriptors

InChI

InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2

InChIKey

QUMSUJWRUHPEEJ-UHFFFAOYSA-N

Smiles

C=CCCC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 1590uL/kg (1.59mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 250ppm/4H (250ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 620mg/kg (620mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 99 deg C   EXP
log P (octanol-water) 1.170 (none)   EST
Atmospheric OH Rate Constant 5.16E-11 cm3/molecule-sec 25 EST

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