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Substance Name: 1,3-Pentadiene
RN: 504-60-9
UNII: FW963NF88B
InChIKey: PMJHHCWVYXUKFD-SNAWJCMRSA-N

Note

  • A linear 5-carbon alkene.

Classification Code

  • Reportable Quantity (RQ) = 100 lb

Molecular Formula

  • C5-H8

Molecular Weight

  • 68.1182
 
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Names and Synonyms

Name of Substance

  • 1,3-Pentadiene

Synonyms

  • 1,3-Pentadiene
  • 1-Methylbutadiene
  • 4-01-00-00995 (Beilstein Handbook Reference)
  • BRN 1523657
  • EC 207-995-2
  • EINECS 207-995-2
  • HSDB 6063
  • Piperylene
  • RCRA waste number U186
  • UNII-FW963NF88B

Systematic Names

  • 1,3-Pentadiene
  • Penta-1,3-diene

Superlist Names

  • 1,3-Pentadiene
  • 1,3-Pentadiene, (cis & trans mixed)
  • 1-Methylbutadiene
  • Pentadiene, 1,3-
  • RCRA waste no. U186

Registry Numbers

CAS Registry Number

  • 504-60-9

FDA UNII

  • FW963NF88B

System Generated Number

  • 0000504609

Structure Descriptors

InChI

1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+

InChIKey

PMJHHCWVYXUKFD-SNAWJCMRSA-N

Smiles

C(\C=C)=C\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 1100mg/m3/2H (1100mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 101, 1982.
rat LC50 inhalation 140gm/m3/2H (140000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 101, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 42 deg C   EXP
log P (octanol-water) 2.450 (none)   EST
Water Solubility 326 mg/L 25 EST
Vapor Pressure 405 mm Hg 25 EXP
Henry's Law Constant 0.122 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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