Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Phorone
RN: 504-20-1
UNII: 8F20OEI0MV
InChIKey: MTZWHHIREPJPTG-UHFFFAOYSA-N

Note

  • An industrial solvent.

Molecular Formula

  • C9-H14-O

Molecular Weight

  • 138.209
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Phorone

Synonyms

  • 2,6-Dimethyl-2,5-heptadien-4-one
  • 4-01-00-03564 (Beilstein Handbook Reference)
  • AI3-00047
  • BRN 1699751
  • CCRIS 4350
  • Diisobutenyl ketone
  • Diisopropylidene acetone
  • EINECS 207-986-3
  • Foron
  • NSC 38718
  • Phoron
  • Phoron [German]
  • Phorone
  • UNII-8F20OEI0MV

Systematic Names

  • 2,5-Heptadien-4-one, 2,6-dimethyl-
  • 2,6-Dimethylhepta-2,5-dien-4-one
  • Phorone

Superlist Names

  • 2,5-Heptadien-4-one, 2,6-dimethyl-
  • Phorone

Registry Numbers

CAS Registry Number

  • 504-20-1

FDA UNII

  • 8F20OEI0MV

System Generated Number

  • 0000504201

Structure Descriptors

InChI

1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3

InChIKey

MTZWHHIREPJPTG-UHFFFAOYSA-N

Smiles

C(\C(\C=C(\C)C)=O)=C(/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo subcutaneous 700mg/kg (700mg/kg)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 56, Pg. 346, 1906.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 28 deg C   EXP
Boiling Point 197.5 deg C   EXP
log P (octanol-water) 2.680 (none)   EST
Water Solubility 436 mg/L 25 EST
Henry's Law Constant 8.31E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.14E-11 cm3/molecule-sec 25 EST

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