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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 466489621 of page 1,4-Butanediol 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 466489621 of page 1,4-Butanediol 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 466489621 of page 1,4-Butanediol with values updated to verified values.
1,4-Butanediol
Names
IUPAC name Butane-1,4-diol
Other names Tetramethylene glycol
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
DrugBank
RTECS number
  • EK0525000
UNII
InChI
  • InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2Key: WERYXYBDKMZEQL-UHFFFAOYSA-N
  • InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
SMILES
  • OCCCCO
  • C(CCO)CO
Properties
Chemical formula C4H10O2
Molar mass 90.122 g·mol
Density 1.0171 g/cm (20 °C)
Melting point 20.1 °C (68.2 °F; 293.2 K)
Boiling point 235 °C (455 °F; 508 K)
Solubility in water Miscible
Solubility in ethanol Soluble
Refractive index (nD) 1.4460 (20 °C)
Hazards
GHS labelling:
Pictograms Acute Tox. (oral) 4
Signal word Warning
Hazard statements H302
Precautionary statements P264, P270, P301+P312, P330, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 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
1 1 0
Flash point 121 °C (open cup)
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. Weast, Robert C., ed. (1981). CRC Handbook of Chemistry and Physics (62nd ed.). Boca Raton, Florida: CRC Press. p. C-190. ISBN 0-8493-0462-8..
  2. ^ 1,4-Butanediol, International Chemical Safety Card 1104, Geneva: International Programme on Chemical Safety, March 1999.
  3. HSNO Chemical Classification Information Database, New Zealand Environmental Risk Management Authority, retrieved 2009-08-29.