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Substance Name: 4-Methyl-1,3-pentadiene
RN: 926-56-7
UNII: N4L3O7UJM9
InChIKey: CJSBUWDGPXGFGA-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H10

Molecular Weight

  • 82.145
 
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Names and Synonyms

Name of Substance

  • 4-Methyl-1,3-pentadiene

Synonyms

  • EINECS 213-137-8
  • Methylpentadiene
  • UNII-N4L3O7UJM9

Systematic Names

  • 1,3-Pentadiene, 4-methyl-
  • 4-Methylpenta-1,3-diene
  • Pentadiene, methyl-

Superlist Names

  • 1,3-Pentadiene, 4-methyl-
  • 4-Methyl-1,3-pentadiene

Registry Numbers

CAS Registry Number

  • 926-56-7

FDA UNII

  • N4L3O7UJM9

Other Registry Number

  • 54363-49-4

System Generated Number

  • 0000926567

Structure Descriptors

InChI

InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3

InChIKey

CJSBUWDGPXGFGA-UHFFFAOYSA-N

Smiles

CC(=CC=C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 76.5 deg C   EXP
log P (octanol-water) 2.990 (none)   EST
Water Solubility 105 mg/L 25 EST
Vapor Pressure 140 mm Hg 25 EST
Henry's Law Constant 0.191 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.31E-10 cm3/molecule-sec 25 EXP

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