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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:21, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 477202237 of page 1,3-Butanediol for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInChIKey').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 16:21, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 477202237 of page 1,3-Butanediol for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInChIKey').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 477202237 of page 1,3-Butanediol with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name Butane-1,3-diol
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1731276

1718944 (R)
1718943 (S)

ChemSpider
EC Number
  • 203-529-7
Gmelin Reference 2409

2493173 (R)
1994384 (S)

MeSH 1,3-Butylene+glycol
PubChem CID
RTECS number
  • EK0440000
UNII
SMILES
  • CC(O)CCO
Properties
Chemical formula C4H10O2
Molar mass 90.122 g·mol
Appearance Colourless liquid
Density 1.0053 g cm
Solubility in water 1 kg dm
log P −0.74
Vapor pressure 8 Pa (at 20 °C)
Refractive index (nD) 1.44
Thermochemistry
Std molar
entropy (S298) 		227.2 J K mol
Std enthalpy of
formation (ΔfH298) 		−501 kJ mol
Std enthalpy of
combustion (ΔcH298) 		−2.5022 MJ mol
Hazards
GHS labelling:
Pictograms GHS07: Exclamation mark
Signal word Warning
Hazard statements H319, H413
Precautionary statements P305+P351+P338
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 108 °C
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. "1,3-butylene glycol - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 7 October 2011.