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Substance Name: Nonane
RN: 111-84-2
UNII: T9W3VH6G10
InChIKey: BKIMMITUMNQMOS-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)

Superlist Classification Code

  • TWA (200 ppm)
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Names and Synonyms

Name of Substance

  • Nonane

Synonyms

  • CCRIS 6081
  • EC 203-913-4
  • EINECS 203-913-4
  • HSDB 107
  • n-Nonane
  • Nonane
  • Nonyl hydride
  • NSC 72430
  • Shellsol 140
  • UNII-T9W3VH6G10

Systematic Name

  • Nonane

Superlist Name

  • Nonane

Registry Numbers

CAS Registry Number

  • 111-84-2

FDA UNII

  • T9W3VH6G10

Other Registry Number

  • 875820-94-3

System Generated Number

  • 0000111842

Structure Descriptors

InChI

1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

InChIKey

BKIMMITUMNQMOS-UHFFFAOYSA-N

Smiles

C(CCCC)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 218mg/kg (218mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.
rat LC50 inhalation 3200ppm/4H (3200ppm)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 53, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.35E+01 deg C   EXP
Boiling Point 150.8 deg C   EXP
log P (octanol-water) 4.760 (none)   EST
Water Solubility 220 mg/L 25 EXP
Vapor Pressure 4.45 mm Hg 25 EXP
Henry's Law Constant 3.400 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.02E-11 cm3/molecule-sec 25 EXP

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