Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Methoxy-4-methyl-2-pentanone
RN: 107-70-0
UNII: 02RA332R13
InChIKey: KOKPBCHLPVDQTK-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.1856
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 4-Methoxy-4-methyl-2-pentanone

Synonyms

  • 2-Pentanone, 4-methoxy-4-methyl-
  • 4-01-00-04024 (Beilstein Handbook Reference)
  • 4-Methoxy-4-methyl-2-pentanone
  • 4-Methyl-4-methoxy-2-pentanone
  • BRN 1747866
  • CCRIS 4840
  • EINECS 203-512-4
  • HSDB 1153
  • ME 6 K
  • NSC 48083
  • Pent-Oxone Solvent
  • Pentoxone
  • UNII-02RA332R13

Systematic Names

  • 2-Pentanone, 4-methoxy-4-methyl-
  • 4-Methoxy-4-methylpentan-2-one

Superlist Names

  • 4-Methoxy-4-methylpentan-2-one [UN2293] [Flammable liquid]
  • UN2293

Registry Numbers

CAS Registry Number

  • 107-70-0

FDA UNII

  • 02RA332R13

System Generated Number

  • 0000107700

Structure Descriptors

InChI

1S/C7H14O2/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3

InChIKey

KOKPBCHLPVDQTK-UHFFFAOYSA-N

Smiles

CC(=O)CC(C)(C)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 2280ppm/15H (2280ppm)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.
mouse LD50 oral 2050mg/kg (2050mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.
rabbit LDLo skin 3gm/kg (3000mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.
rat LDLo oral 3gm/kg (3000mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 160 deg C   EXP
log P (octanol-water) 0.360 (none)   EST
Water Solubility 2.80E+05 mg/L 25 EXP
Vapor Pressure 2.2 mm Hg 20 EXP
Henry's Law Constant 1.93E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.34E-12 cm3/molecule-sec 25 EST

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