(S)-Glycidyl Butyrate - CAS 65031-96-1

Name: (S)-Glycidyl Butyrate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032617
Product Name:	(S)-Glycidyl Butyrate
CAS:	65031-96-1
Synonyms:	butanoic acid [(2S)-2-oxiranyl]methyl ester; [(2S)-oxiran-2-yl]methyl butanoate

Technical Data

IUPAC Name:	[(2S)-oxiran-2-yl]methyl butanoate
Description:	(S)-Glycidyl Butyrate (CAS# 65031-96-1) is the enantiomer of (2R)-2-Oxiranylmethyl Ester Butanoic Acid (O847090), which is a reagent used in the synthesis of glycidol, a stabilizer in manufacturing of vinyl polymers; intermediate in the synthesis of glycerol, glycidyl ethers, and amines; additive for oil and synthetic hydraulic fluids; epoxy resin diluent.
Molecular Weight:	144.17
Molecular Formula:	C7H12O3
Canonical SMILES:	CCCC(=O)OCC1CO1
InChI:	InChI=1S/C7H12O3/c1-2-3-7(8)10-5-6-4-9-6/h6H,2-5H2,1H3/t6-/m0/s1
InChI Key:	YLNSNVGRSIOCEU-LURJTMIESA-N
Boiling Point:	90 °C (19 mmHg)
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.018 g/cm³
Appearance:	Light yellow to colorless liquid
LogP:	0.72850

GHS Hazard Statement:	H302 (13.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021031533-A1	Method for synthesizing n-substituted phenyl-5-hydroxymethyl-2-oxazolidinone	20190820
WO-2020234636-A1	Novel compounds for the treatment of mammalian infections	20190517
WO-2020021468-A1	Substituted oxazolidinones for the treatment of mammalian infections	20180725
WO-2019209948-A1	Compounds and uses thereof	20180425
WO-2019209948-A9	Compounds and uses thereof	20180425

PMID	Publication Date	Title	Journal
22595342	20120801	Enhanced productivity of electrospun polyvinyl alcohol nanofibrous mats using aqueous N,N-dimethylformamide solution and their application to lipase-immobilizing membrane-shaped catalysts	Journal of bioscience and bioengineering
22346232	20110701	Liquid chromatographic estimation of (S) - glycidyl butyrate in (R) - glycidyl butyrate	Journal of natural science, biology, and medicine

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	144.078644241
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.078644241
Rotatable Bond Count:	5
Topological Polar Surface Area:	38.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6