10-Hydroxy-2-decanone - CAS 35295-48-8

Catalog:	BB061060
Product Name:	10-Hydroxy-2-decanone
CAS:	35295-48-8
Synonyms:	10-hydroxydecan-2-one; 10-Hydroxy-2-decanone; 9-Oxodecan-1-ol

Technical Data

IUPAC Name:	10-hydroxydecan-2-one
Description:	10-Hydroxy-2-decanone is an intermediate used in the synthesis of Monooxoisodecyl Phthalate (M547915), which is a derivative of Monoisodecyl Phthalate (M547905) which activates mouse and human Peroxisome Proliferator-Activated Receptors (PPARs).
Molecular Weight:	172.26
Molecular Formula:	C10H20O2
Canonical SMILES:	CC(=O)CCCCCCCCO
InChI:	InChI=1S/C10H20O2/c1-10(12)8-6-4-2-3-5-7-9-11/h11H,2-9H2,1H3
InChI Key:	YVJYDCIOSPAUPO-UHFFFAOYSA-N
Solubility:	Chloroform; Dichloromethane; Ethyl Acetate; Methanol
Appearance:	White Solid
References:	Bisset, K. M., et al. Neurochem. Internatio., 59 (5), 706 (2011); Bility, M. T., et al. Toxico. Sci., 82 (1), 170 (2004).

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.146329876
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.146329876
Rotatable Bond Count:	8
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9