1,3-Butanediol

1,3-Butanediol
IUPAC name Butane-1,3-diol[1]
Identifiers
CAS number	107-88-0 Y, 6290-03-5 (R), 24621-61-2 (S)
PubChem	7896, 637497 (R), 446973 (S)
ChemSpider	7608 Y, 553103 (R) Y, 394191 (S) Y
UNII	3XUS85K0RA Y
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
SMILES CC(O)CCO
InChI InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 N Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N N
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 enthalpy of formation ΔfHo298	−501 kJ mol−1
Std enthalpy of combustion ΔcHo298	−2.5022 MJ mol−1
Standard molar entropy So298	227.2 J K−1 mol−1
Hazards
GHS pictograms
GHS signal word	WARNING
GHS hazard statements	H319, H413
GHS precautionary statements	P305+351+338
EU classification	Xi
R-phrases	R36/37/38
S-phrases	S26, S36
NFPA 704	1 1 0
Flash point	108 °C; 226 °F; 381 K
Autoignition temperature	394 °C; 741 °F; 667 K
Related compounds
Related butanediol	1,2-Butanediol 1,4-Butanediol 2,3-Butanediol
Related compounds	2-Methylpentane
N (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
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.

References