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Revision as of 09:28, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464245844 of page Chloroacetic_acid for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 09:28, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464241099 of page Propylene_glycol for the Chem/Drugbox validation project (updated: 'ChEBI', 'StdInChI', 'StdInChIKey', 'ChemSpiderID').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{chembox
| Watchedfields = changed | Verifiedfields = changed
| verifiedrevid = 443517877 | verifiedrevid = 414073777
| Reference = <ref>'']'', 11th Edition, '''7868'''.</ref>
| Name = '''Chloroacetic acid''' | Name = '''Propylene glycol'''
| ImageFile1 = Chloroacetic-acid-2D-skeletal.png
| ImageFile = Propylene glycol chemical structure.png
| ImageSize1 =
| ImageName1 = Chloroacetic acid | ImageSize = 200px
| ImageName = Propylene glycol
| ImageFile2 = Chloroacetic-acid-3D-vdW.png
| ImageFileR1 = PropyleneGlycol-spaceFill.png
| ImageSize2 = 150px
| ImageSizeR1 = 100px
| ImageName2 = Chloroacetic acid
| IUPACName = Chloroacetic acid | ImageNameR1 = Space-filling model
| ImageFileL1 = PropyleneGlycol-stickAndBall.png
| SystematicName = Chloroethanoic acid
| ImageSizeL1 = 100px
| ImageNameL1 = ball-and-stick model
| IUPACName = propane-1,2-diol
| OtherNames = propylene glycol, α-propylene glycol, 1,2-propanediol, 1,2-Dihydroxypropane, methyl ethyl glycol (MEG), methylethylene glycol, PG, Sirlene, Dowfrost
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 6DC9Q167V3
| ChemSpiderID = 10772140
| CASNo = 57-55-6
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 5GD84Y125G
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D07677
| InChI = 1/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 27869
| SMILES = ClCC(O)=O
| InChIKey = FOCAUTSVDIKZOP-UHFFFAOYAR
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 14090
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = FOCAUTSVDIKZOP-UHFFFAOYSA-N
| CASNo = 79-11-8
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| RTECS = AF8575000
| ChemSpiderID = 13835224
| ChEBI = 16997
| StdInChI = 1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
| StdInChIKey = DNIAPMSPPWPWGF-UHFFFAOYSA-N
| PubChem = 1030
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = 286398
| ATCvet = yes
| ATCCode_prefix = A16
| ATCCode_suffix = QA01
| SMILES = CC(O)CO
| RTECS = TY6300000
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = C<sub>3</sub>H<sub>8</sub>O<sub>2</sub>
| C = 2 | H = 3 | Cl = 1 | O = 2
| MolarMass = 76.09 g/mol
| Appearance = Colorless or white ]s
| Density = 1.58&nbsp;g·cm<sup>−3</sup>, solid | Density = 1.036 g/cm³
| Solubility = 85.8&nbsp;g/100mL (25 °C) | MeltingPt = {{convert|-59|°C|°F}}
| Solubility = fully ]
| MeltingPtC = 63
| Solubility1 = fully ]
| BoilingPt = 189.3&nbsp;°C, 462.5&nbsp;K, 372.7&nbsp;°F
| Solvent1 = ethanol
| pKa = 2.86<ref>Dippy, J.F.J., Hughes, S.R.C., Rozanski, A., ''J. Chem Soc.'', '''1959''', 2492.</ref>
| Solubility2 = fully ]
| Solvent2 = diethyl ether
| Solubility3 = fully ]
| Solvent3 = acetone
| Solubility4 = fully ]
| Solvent4 = chloroform
| BoilingPt = {{convert|188.2|°C|°F}}
| ThermalConductivity = {{{conductivity|0.34}}} W/m-K (50% H2O @ {{convert|90|°C|°F}})
}} }}
| Section7 = {{Chembox Hazards | Section7 = {{Chembox Hazards
| ExternalMSDS = | ExternalMSDS =
| MainHazards = alkylating agent | NFPA-H = 0
| NFPA-H = 3 | NFPA-F = 1
| NFPA-F = 1 | Reactivity=0 | NFPA-R = 0
| NFPA-R = | NFPA-O =
| FlashPt = 126&nbsp;°C | RPhrases =
| RPhrases = {{R25}} {{R34}} {{R50}} | SPhrases = {{S24}} {{S25}}
| SPhrases = {{S23}} {{S37}} {{S45}} {{S61}}
}} }}
| Section8 = {{Chembox Related | Section8 = {{Chembox Related
| Function = ]s
| OtherCpds = ]<br />]
| OtherFunctn = ] ]
}} }}
}} }}

Revision as of 09:28, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 464241099 of page Propylene_glycol with values updated to verified values.
Propylene glycol
Propylene glycol
ball-and-stick model
ball-and-stick model
Space-filling model
Space-filling model
Names
IUPAC name propane-1,2-diol
Other names propylene glycol, α-propylene glycol, 1,2-propanediol, 1,2-Dihydroxypropane, methyl ethyl glycol (MEG), methylethylene glycol, PG, Sirlene, Dowfrost
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
RTECS number
  • TY6300000
UNII
InChI
  • InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N
SMILES
  • CC(O)CO
Properties
Chemical formula C3H8O2
Molar mass 76.09 g/mol
Density 1.036 g/cm³
Melting point −59 °C (−74 °F)
Boiling point 188.2 °C (370.8 °F)
Solubility in water fully miscible
Solubility in ethanol fully miscible
Solubility in diethyl ether fully miscible
Solubility in acetone fully miscible
Solubility in chloroform fully miscible
Thermal conductivity 0.34 W/m-K (50% H2O @ 90 °C (194 °F))
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 0: Exposure under fire conditions would offer no hazard beyond that of ordinary combustible material. E.g. sodium chlorideFlammability 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
0 1 0
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. Merck Index, 11th Edition, 7868.