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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:27, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 465715812 of page 1,4-Butynediol for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 16:27, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 465715812 of page 1,4-Butynediol for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 465715812 of page 1,4-Butynediol with values updated to verified values.
1,4-Butynediol
1,4-Butynediol
Names
IUPAC name But-2-yne-1,4-diol
Other names Butynediol
2-Butyne-1,4-diol
1,4-Dihydroxy-2-butyne
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
KEGG
InChI
  • InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2Key: DLDJFQGPPSQZKI-UHFFFAOYSA-N
  • InChI=1/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2Key: DLDJFQGPPSQZKI-UHFFFAOYAT
SMILES
  • OCC#CCO
Properties
Chemical formula C4H6O2
Molar mass 86.09 g/mol
Density 1.2 g/cm³
Melting point 52–55 °C
Boiling point 238 °C
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 1 0
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkverify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. 1,4-Butynediol at chemicalland21.com