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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 17:19, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 473857093 of page 2-Ethylhexanol for the Chem/Drugbox validation project (updated: 'KEGG').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 17:19, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 473857093 of page 2-Ethylhexanol for the Chem/Drugbox validation project (updated: 'KEGG').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 473857093 of page 2-Ethylhexanol with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula of 2-ethylhexanol
Names
Preferred IUPAC name 2-Ethyl-1-hexanol
Systematic IUPAC name 2-Ethylhexan-1-ol
Other names
  • 2-Ethylhexyl alcohol
  • Isooctanol
  • Isooctyl alcohol
  • Oxooctyl alcohol
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1719280
ChEBI
ChEMBL
ChemSpider
EC Number
  • 203-234-3
MeSH 2-ethylhexanol
PubChem CID
UNII
InChI
  • InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3Key: YIWUKEYIRIRTPP-UHFFFAOYSA-N
SMILES
  • CCCCC(CC)CO
Properties
Chemical formula C8H18O
Molar mass 130.231 g·mol
Appearance Colourless, transparent liquid
Density 833 mg mL
Melting point −76 °C (−105 °F; 197 K)
log P 2.721
Vapor pressure 30 Pa (at 20 °C)
Refractive index (nD) 1.431
Thermochemistry
Heat capacity (C) 317.5J K mol
Std molar
entropy (S298) 		347.0 J K mol
Std enthalpy of
formation (ΔfH298) 		−433.67–−432.09 kJ mol
Std enthalpy of
combustion (ΔcH298) 		−5.28857–−5.28699 MJ mol
Hazards
GHS labelling:
Pictograms GHS05: CorrosiveGHS07: Exclamation mark
Signal word Danger
Hazard statements H312, H315, H318, H335
Precautionary statements P261, P280, P305+P351+P338
Flash point 81 °C
Explosive limits 0.88–9.7%
Lethal dose or concentration (LD, LC):
LD50 (median dose)
  • 1.97 g kg (dermal, rabbit)
  • 3.73 g kg (oral, rat)
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. "2-ethylhexanol - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 16 September 2005. Identification and Related Records. Retrieved 29 January 2012.