1,3-Butanediol

1,3-Butanediol

Names
IUPAC name Butane-1,3-diol
Identifiers
CAS Number	107-88-0 Y 6290-03-5 (R) Y 24621-61-2 (S) Y
3D model (Jmol)	Interactive image
Beilstein Reference	1731276 1718944 (R) 1718943 (S)
ChEBI	CHEBI:52683 N
ChemSpider	7608 Y 553103 (R) Y 394191 (S) Y
DrugBank	DB02202 N
ECHA InfoCard	100.003.209
EC Number	203-529-7
E number	E1502 (additional chemicals)
Gmelin Reference	2409 2493173 (R) 1994384 (S)
KEGG	D10695 N
MeSH	1,3-Butylene+glycol
PubChem CID	7896 637497 (R) 446973 (S)
RTECS number	EK0440000
UNII	3XUS85K0RA Y
InChI InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 N Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N N
SMILES CC(O)CCO
Properties
Chemical 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
GHS signal word	WARNING
GHS hazard statements	H319, H413
GHS precautionary statements	P305+351+338
EU classification (DSD)	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
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N  (what is YN ?)
Infobox references

1718944 (R)
1718943 (S)

2493173 (R)
1994384 (S)

1,4-Butanediol
2,3-Butanediol

1,3-Butanediol (also known as 1,3-butylene glycol, butane-1,3-diol, or 1,3-dihydroxybutane) 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 structural 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.