2,4-Pentanediol - CAS 625-69-4

Catalog:	BB031666
Product Name:	2,4-Pentanediol
CAS:	625-69-4
Synonyms:	pentane-2,4-diol

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	pentane-2,4-diol
Description:	2,4-Pentanediol (CAS# 625-69-4) is a useful research chemical.
Molecular Weight:	104.15
Molecular Formula:	C5H12O2
Canonical SMILES:	CC(CC(C)O)O
InChI:	InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
InChI Key:	GTCCGKPBSJZVRZ-UHFFFAOYSA-N
Boiling Point:	199.5 °C at 760 mmHg
Flash Point:	213.8 °CF
Purity:	95 %
Density:	0.95 g/cm³
Appearance:	Clear colorless to light yellow liquid
LogP:	0.13810
Refractive Index:	n20/D 1.435 (lit.)

Publication Number	Title	Priority Date
CN-113480399-A	Preparation method of pentamethyl indane	20210707
CN-113461928-A	Low-condensation-point polyether, composition thereof, preparation method and application thereof	20210630
CN-113185791-A	Environment-friendly high-toughness PVC (polyvinyl chloride) pipe and preparation process thereof	20210610
CN-113087889-A	Method for efficiently preparing poly (1, 4-cyclohexanedimethanol terephthalate) (PCT)	20210528
CN-112940262-A	Preparation method of high-flash-point polyether epoxy silicone oil	20210402

PMID	Publication Date	Title	Journal
22220552	20120202	Theoretical insight into stereoselective reaction mechanisms of 2,4-pentanediol-tethered ketene-olefin [2 + 2] cycloaddition	The journal of physical chemistry. A
22053749	20111205	2,4-Pentanediolate as an alkoxide/diketonate 'hybrid' ligand and the formation of aluminum and zirconium derivatives	Inorganic chemistry
20704406	20100820	Stereocontrol in radical cyclization: change in rate-determining step	Organic letters
20408594	20100521	Brønsted acid catalyzed asymmetric reduction of ketones and acyl silanes using chiral anti-pentane-2,4-diol	Organic letters
17388430	20070329	Glass transition dynamics and boiling temperatures of molecular liquids and their isomers	The journal of physical chemistry. B

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Complexity:	39.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	104.083729621
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	104.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1