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Substance Name: 1,5,9-Cyclododecatriene
RN: 4904-61-4
UNII: 6Q5S1IRJ4Q
InChIKey: ZOLLIQAKMYWTBR-MOLCZBCNSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H18

Molecular Weight

  • 162.274
 
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Names and Synonyms

Name of Substance

  • 1,5,9-Cyclododecatriene

Synonyms

  • (Z,E,E)-CDT
  • 1,5,9-Cyclododecatriene
  • 1,5,9-Cyclododecatriene (Z,E,E)
  • AI3-26695
  • CDT (VAN)
  • EC 225-533-8
  • EINECS 225-533-8
  • HSDB 6481
  • NSC 72433
  • UNII-6Q5S1IRJ4Q

Systematic Names

  • 1,5,9-Cyclododecatriene
  • 1,5,9-Cyclododecatriene (Z,E,E)
  • Cyclododeca-1,5,9-triene

Superlist Names

  • 1,5,9-Cyclododecatriene
  • 1,5,9-Cyclododecatriene [UN2518] [Poison]
  • UN2518

Registry Numbers

CAS Registry Number

  • 4904-61-4

FDA UNII

  • 6Q5S1IRJ4Q

Other Registry Numbers

  • 13338-87-9
  • 2095354-65-5

System Generated Number

  • 0004904614

Structure Descriptors

InChI

1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8-

InChIKey

ZOLLIQAKMYWTBR-MOLCZBCNSA-N

Smiles

C1CC=CCCC=CCCC=C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 7500mg/m3/6H (7500mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0557883,
rat LD50 oral 1780mg/kg (1780mg/kg) BEHAVIORAL: TREMOR National Technical Information Service. Vol. OTS0557883,
rat LD50 skin > 3600mg/kg (3600mg/kg)   National Technical Information Service. Vol. OTS0557883,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.70E+01 deg C   EXP
Boiling Point 240 deg C   EXP
log P (octanol-water) 5.5 (none)   EXP
Water Solubility 0.390 mg/L 25 EST
Vapor Pressure 0.083 mm Hg 25 EST
Henry's Law Constant 0.499 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.76E-10 cm3/molecule-sec 25 EST

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