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Substance Name: 2-Methylhexane
RN: 591-76-4
UNII: YI4679P2SP
InChIKey: GXDHCNNESPLIKD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H16

Molecular Weight

  • 100.203
 
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Names and Synonyms

Name of Substance

  • 2-Methylhexane

Synonyms

  • 2-Methylhexane
  • D 726
  • EINECS 209-730-6
  • NSC 24840
  • UNII-YI4679P2SP

Systematic Names

  • 2-Methylhexane
  • Hexane, 2-methyl-

Superlist Name

  • Hexane, 2-methyl-

Registry Numbers

CAS Registry Number

  • 591-76-4

FDA UNII

  • YI4679P2SP

System Generated Number

  • 0000591764

Structure Descriptors

InChI

1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3

InChIKey

GXDHCNNESPLIKD-UHFFFAOYSA-N

Smiles

C(C(C)C)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 19500ppm/4H (19500ppm) BEHAVIORAL: TREMOR

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0534860,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.18E+02 deg C   EXP
Boiling Point 90 deg C   EXP
log P (octanol-water) 3.710 (none)   EST
Water Solubility 2.54 mg/L 25 EXP
Vapor Pressure 66 mm Hg 25 EXP
Henry's Law Constant 3.430 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.86E-12 cm3/molecule-sec 25 EST

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