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Substance Name: 1,3-Cyclopentadiene
RN: 542-92-7
UNII: 5DFH9434HF
InChIKey: ZSWFCLXCOIISFI-UHFFFAOYSA-N

Molecular Formula

  • C5-H6

Molecular Weight

  • 66.1024
 

Classification Codes

Classification Code

  • TSCA Flag SP (Substance is Identified in a Proposed Significant New Use Rule)

Superlist Classification Codes

  • TWA (75 ppm)
  • TWA 75 ppm (200 mg/m3)
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Names and Synonyms

Name of Substance

  • 1,3-Cyclopentadiene
  • Cyclopentadiene

Synonyms

  • 1,3-Cyclopentadiene
  • Cyclopentadiene
  • EC 208-835-4
  • EINECS 208-835-4
  • HSDB 2514
  • Pentole
  • Pyropentylene
  • R-Pentine
  • UNII-5DFH9434HF

Systematic Names

  • 1,3-Cyclopentadiene
  • Cyclopentadiene

Superlist Names

  • 1,3-Cyclopentadiene
  • Cyclopentadiene

Registry Numbers

CAS Registry Number

  • 542-92-7

FDA UNII

  • 5DFH9434HF

Other Registry Number

  • 26912-33-4

System Generated Number

  • 0000542927

Structure Descriptors

InChI

1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2

InChIKey

ZSWFCLXCOIISFI-UHFFFAOYSA-N

Smiles

C1C=CC=C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 14gm/m3 (14000mg/m3) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: AGGRESSION

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 9(12), Pg. 13, 1965.
mouse LD50 oral 800mg/kg (800mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 9, Pg. 27, 1967.
rabbit LD50 skin 430mg/kg (430mg/kg)   National Technical Information Service. Vol. OTS0535718,
rat LC50 inhalation 39gm/m3 (39000mg/m3) BEHAVIORAL: AGGRESSION

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 9(12), Pg. 13, 1965.
rat LD50 oral 113mg/kg (113mg/kg)   National Technical Information Service. Vol. OTS0535718,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.50E+01 deg C   EXP
Boiling Point 41 deg C   EXP
log P (octanol-water) 2.250 (none)   EST
Water Solubility 471 mg/L 25 EST
Vapor Pressure 435 mm Hg 25 EXP
Henry's Law Constant 0.064 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.43E-10 cm3/molecule-sec 25 EST

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