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Substance Name: 1,3,5-Hexatriene
RN: 2235-12-3
UNII: 6WCH7CH656
InChIKey: AFVDZBIIBXWASR-AATRIKPKSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H8

Molecular Weight

  • 80.1292
 
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Names and Synonyms

Name of Substance

  • 1,3,5-Hexatriene

Synonyms

  • 1,3,5-Hexatriene
  • 3-01-00-01041 (Beilstein Handbook Reference)
  • BRN 1730999
  • Divinylethylene
  • EINECS 218-789-7
  • Hexatriene
  • NSC 91558
  • UNII-6WCH7CH656

Systematic Names

  • 1,3,5-Hexatriene
  • Hexa-1,3,5-triene, mixed isomers

Registry Numbers

CAS Registry Number

  • 2235-12-3

FDA UNII

  • 6WCH7CH656

Other Registry Number

  • 183592-62-3

System Generated Number

  • 0002235123

Structure Descriptors

InChI

1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5+

InChIKey

AFVDZBIIBXWASR-AATRIKPKSA-N

Smiles

C(=C\C=C)\C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 6730mg/kg (6730mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.
rat LCLo inhalation 100000ppm/15M (100000ppm)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.
rat LD50 oral 210mg/kg (210mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 77.5 deg C   EXP
log P (octanol-water) 2.800 (none)   EST
Water Solubility 154 mg/L 25 EST
Henry's Law Constant 0.098 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.12E-10 cm3/molecule-sec 25 EST

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