1,3-Butanediol

From Wikipedia, the free encyclopedia
  (Redirected from E1502)
Jump to: navigation, search
1,3-Butanediol
Skeletal formula of 1,3-butanediol
Ball and stick model of 1,3-butanediol (S) Spacefill model of 1,3-butanediol (S)
Identifiers
CAS number 107-88-0 YesY, 6290-03-5 (R), 24621-61-2 (S)
PubChem 7896, 637497 (R), 446973 (S)
ChemSpider 7608 YesY, 553103 (R) YesY, 394191 (S) YesY
UNII 3XUS85K0RA YesY
EC number 203-529-7
DrugBank DB02202
MeSH 1,3-Butylene+glycol
ChEBI CHEBI:52683 N
ChEMBL CHEMBL1231503 N
RTECS number EK0440000
Beilstein Reference 1731276

1718944 (R)
1718943 (S)

Gmelin Reference 2409

2493173 (R)
1994384 (S)

Jmol-3D images Image 1
Properties
Molecular formula C4H10O2
Molar mass 90.12 g mol−1
Appearance Colourless liquid
Density 1.0053 g cm−3
Melting point −50 °C (−58 °F; 223 K)
Boiling point 204 to 210 °C; 399 to 410 °F; 477 to 483 K
Solubility in water 1 kg dm−3
log P −0.74
Vapor pressure 8 Pa (at 20 °C)
Refractive index (nD) 1.44
Thermochemistry
Std molar
entropy
So298
227.2 J K−1 mol−1
Std enthalpy of
formation
ΔfHo298
−501 kJ mol−1
Std enthalpy of
combustion
ΔcHo298
−2.5022 MJ mol−1
Hazards
GHS pictograms The exclamation-mark pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS)
GHS signal word WARNING
GHS hazard statements H319, H413
GHS precautionary statements P305+351+338
EU classification Irritant Xi
R-phrases R36/37/38
S-phrases S26, S36
NFPA 704
Flammability code 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g., canola oil Health code 1: Exposure would cause irritation but only minor residual injury. E.g., turpentine Reactivity code 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g., liquid nitrogen Special hazards (white): no codeNFPA 704 four-colored diamond
Flash point 108 °C (226 °F; 381 K)
Related compounds
Related butanediol 1,2-Butanediol

1,4-Butanediol
2,3-Butanediol

Related compounds 2-Methylpentane
Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
 N (verify) (what is: YesY/N?)
Infobox references

1,3-Butanediol is an organic chemical, an alcohol. It is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins. It is one of four stable isomers of butanediol. In biology, 1,3-butanediol is used as a hypoglycaemic agent. 1,3-Butanediol can be converted into β-hydroxybutyrate and serve as a substrate for brain metabolism.[1]

References[edit]

  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.