(S)-4-Hydroxydihydrofuran-2(3H)-one - CAS 7331-52-4

Catalog:	BB034819
Product Name:	(S)-4-Hydroxydihydrofuran-2(3H)-one
CAS:	7331-52-4
Synonyms:	(4S)-4-hydroxy-2-oxolanone; (4S)-4-hydroxyoxolan-2-one

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Computed Properties

IUPAC Name:	(4S)-4-hydroxyoxolan-2-one
Description:	(S)-4-Hydroxydihydrofuran-2(3H)-one (CAS# 7331-52-4) is a useful research chemical.
Molecular Weight:	102.09
Molecular Formula:	C4H6O3
Canonical SMILES:	C1C(COC1=O)O
InChI:	InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m0/s1
InChI Key:	FUDDLSHBRSNCBV-VKHMYHEASA-N
Boiling Point:	98 -100 ℃ at 0.1 mmHg
Melting Point:	1.24ºC
Flash Point:	>110ºC
Density:	1.24 g/cm³
Appearance:	Clear to pale yellow liquid
Storage:	2-8ºC
MDL:	MFCD00211247
LogP:	-0.70580
Refractive Index:	1.463-1.466

Publication Number	Title	Priority Date
CN-111056918-A	Preparation method of (S) -1,2, 4-butanetriol	20191223
WO-2021121327-A1	Substituted straight chain spiro derivatives	20191219
CN-110372525-A	One kind synthesizing the preparation method of l-carnitine using R- (-)-epoxychloropropane as starting material	20190725
CN-111850081-A	Method for resolving optical isomers using supercritical fluid extraction techniques	20190426
WO-2020216295-A1	Method for resolving optical isomer by using supercritical fluid extraction technology	20190426

PMID	Publication Date	Title	Journal
22633410	20120525	Honaucins A-C, potent inhibitors of inflammation and bacterial quorum sensing: synthetic derivatives and structure-activity relationships	Chemistry & biology
19652966	20091001	Uses and production of chiral 3-hydroxy-gamma-butyrolactones and structurally related chemicals	Applied microbiology and biotechnology
18446525	20080601	A chemoenzymatic approach to the synthesis of enantiomerically pure (S)-3-hydroxy-gamma-butyrolactone	Applied microbiology and biotechnology
16569603	20060201	Improvement on production of (R)-4-chloro-3-hydroxybutyrate and (S)-3-hydroxy-gamma-butyrolactone with recombinant Escherichia coli cells	Journal of bioscience and bioengineering

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GHS Hazard Statement:	H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	88.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	102.031694049
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	102.031694049
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8