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Substance Name: 1,7-Octadiene
RN: 3710-30-3
UNII: N4H29T34J2
InChIKey: XWJBRBSPAODJER-UHFFFAOYSA-N

Molecular Formula

  • C8-H14

Molecular Weight

  • 110.199
 
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Names and Synonyms

Name of Substance

  • 1,7-Octadiene

Synonyms

  • 1,7-Octadiene
  • 4-01-00-01038 (Beilstein Handbook Reference)
  • AI3-28000
  • alpha,omega-Octadiene
  • BRN 0605288
  • EC 223-054-9
  • EINECS 223-054-9
  • NSC 82324
  • UNII-N4H29T34J2

Systematic Names

  • 1,7-Octadiene
  • Octa-1,7-diene

Registry Numbers

CAS Registry Number

  • 3710-30-3

FDA UNII

  • N4H29T34J2

System Generated Number

  • 0003710303

Structure Descriptors

InChI

1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2

InChIKey

XWJBRBSPAODJER-UHFFFAOYSA-N

Smiles

C(CCC=C)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 14100uL/kg (14.1mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LCLo inhalation 8000ppm/4H (8000ppm)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 19700uL/kg (19.7mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 115.5 deg C   EXP
log P (octanol-water) 4.000 (none)   EST
Atmospheric OH Rate Constant 5.77E-11 cm3/molecule-sec 25 EST

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