Polyisoprene

C5H8CAS 9003-31-068.12 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C5H8
Molar mass
68.12 g/mol
Exact mass
68.0626 Da
Density
0.96 g/mL
Melting point
64 °C
Boiling point
34 °C
Flash point
-53.9 °C (closed cup)
Water solubility
642 mg/L (25 °C)
logP
1.75Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 601-014-00-5), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
9003-31-0
SMILES
C=CC(=C)C
InChIKey
RRHGJUQNOFWUDK-UHFFFAOYSA-N
InChI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

23 names · show all
  • 1,3-Butadiene, 2-methyl-, homopolymer
  • Isoprene, polymers
  • Isoprene polymer
  • Betaprene H
  • Isoprene D
  • Isoprene oligomer
  • Poly(2-methyl-1,3-butadiene)
  • Isoprene homopolymer
  • Poly(2-methylbutadiene)
  • Poly(isopentadiene)
  • PIP (polyisoprene)
  • PIP
  • JSR-LIR 20000
  • KM 4K1
  • TR 301
  • LIR 15
  • Revultex lan 960
  • LIR 20000
  • JSR-PIP 2
  • H 07-119-04
  • 2-Methyl-1,3-butadiene homopolymer
  • KL 10
  • Sepolex IR 100H

Work with Polyisoprene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Isoprene78-79-5

Similar compounds

2-Methyl-1,3-pentadiene1118-58-745 % similar Methacrolein78-85-345 % similar Methyl vinyl ketone78-94-438 % similar 3-Methyl-1,3-pentadiene4549-74-036 % similar Chloroprene126-99-833 % similar Neoprene9010-98-433 % similar Myrcene123-35-332 % similar β-Ocimene13877-91-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclopentene142-29-0 Housane185-94-4 trans-1,3-Pentadiene2004-70-8 Piperylene504-60-9 1,4-Pentadiene591-93-5 3-Methylbut-1-yne598-23-2 3-Methyl-1,2-butadiene598-25-4 1-Pentyne627-19-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook