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Substance Name: Nonanone, trimethyl-
RN: 1331-50-6
InChIKey: PKNKULBDCRZSBT-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H24-O

Molecular Weight

  • 184.321
 
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Names and Synonyms

Synonyms

  • 4-01-00-03385 (Beilstein Handbook Reference)
  • BRN 1703114
  • Trimethyl nonanone

Systematic Name

  • Nonanone, trimethyl-

Registry Numbers

CAS Registry Number

  • 1331-50-6

System Generated Number

  • 0001331506

Structure Descriptors

InChI

1S/C12H24O/c1-6-7-8-9(2)10(3)11(4)12(5)13/h9-11H,6-8H2,1-5H3

InChIKey

PKNKULBDCRZSBT-UHFFFAOYSA-N

Smiles

C[C@@H]([C@@H](C(C)=O)C)[C@@H](CCCC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 11mL/kg (11mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 8470mg/kg (8470mg/kg)   Union Carbide Data Sheet. Vol. 4/25/1968,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.960 (none)   EST
Water Solubility 21.6 mg/L 25 EST
Vapor Pressure 0.344 mm Hg 25 EST
Henry's Law Constant 6.35E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.91E-11 cm3/molecule-sec 25 EST

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