Dibutyl 4-Hydroxybutyl Phosphate - CAS 89197-75-1

Catalog:	BB068083
Product Name:	Dibutyl 4-Hydroxybutyl Phosphate
CAS:	89197-75-1
Synonyms:	Dibutyl 4-hydroxybutyl phosphate; Phosphoric acid, dibutyl 4-hydroxybutyl ester

Technical Data

IUPAC Name:	dibutyl 4-hydroxybutyl phosphate
Description:	Dibutyl 4-Hydroxybutyl Phosphate is derived from 4-Tetrahydropyranyloxy-butan-1-ol (T295445), which is a useful building block. It is also a metabolite of Phosphoric Acid Tributyl Ester (P359445), which is used as a solvent in the solvent-detergent method for production of immunoglobulin for inactivation of viruses with lipid envelope on the model of duck hepatitis B virus. It is also used as a ligand in the extraction of lanthanide ions from solid and liquid materials by supercritical CO2.
Molecular Weight:	282.31
Molecular Formula:	C12H27O5P
Canonical SMILES:	CCCCOP(=O)(OCCCC)OCCCCO
InChI:	InChI=1S/C12H27O5P/c1-3-5-10-15-18(14,16-11-6-4-2)17-12-8-7-9-13/h13H,3-12H2,1-2H3
InChI Key:	GPZYWSLOBYLLQD-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	Colourless Oil
Storage:	4°C, Hygroscopic
References:	Zubkova, N., et al. Bull. Exp. Biol. Med., 155, 821 (2013); Lin, Y., et al. Anal. Chem., 66, 1971(1994).

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.15961096
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	282.15961096
Rotatable Bond Count:	13
Topological Polar Surface Area:	65Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1