3-Hydroxytetrahydrofuran - CAS 453-20-3

Catalog:	BB025833
Product Name:	3-Hydroxytetrahydrofuran
CAS:	453-20-3
Synonyms:	3-oxolanol; oxolan-3-ol

Technical Data

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Computed Properties

IUPAC Name:	oxolan-3-ol
Description:	3-Hydroxytetrahydrofuran (CAS# 453-20-3) is a useful research chemical.
Molecular Weight:	88.11
Molecular Formula:	C4H8O2
Canonical SMILES:	C1COCC1O
InChI:	InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2
InChI Key:	XDPCNPCKDGQBAN-UHFFFAOYSA-N
Boiling Point:	181 °C
Density:	1.09 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00005374
LogP:	-0.23240

Publication Number	Title	Priority Date
CN-113381074-A	Low-temperature electrolyte and application thereof	20210527
CN-113264908-A	Preparation method of hydroxyl tetrahydrofuran compound	20210526
CN-113248461-A	Preparation method of hydroxyl oxygen heterocyclic alkane derivative	20210517
CN-113092629-A	Purification and isomer detection method of S- (+) -3-hydroxytetrahydrofuran	20210414
CN-113135877-A	Preparation method of high-optical-purity 3-hydroxytetrahydrofuran	20210409

PMID	Publication Date	Title	Journal
21994628	20101101	Molecular Basis for Drug Resistance in HIV-1 Protease	Viruses
20232961	20100314	Electron impact ionization of furanose alcohols	The Journal of chemical physics
18549217	20080709	Amine-directed hydroboration: scope and limitations	Journal of the American Chemical Society
16942207	20060807	Total dissociative electron attachment cross sections for molecular constituents of DNA	The Journal of chemical physics
15945047	20050613	Angle-resolved photoelectron spectroscopy of randomly oriented 3-hydroxytetrahydrofuran enantiomers	Chemphyschem : a European journal of chemical physics and physical chemistry

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GHS Hazard Statement:	H335 (11.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P271, P304+P340, P319, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	44.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.052429494
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	88.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4