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599-04-2

599-04-2 structural image
Product Name: D-(-)-PANTOLACTONE
Formula: C6H10O3
Synonyms: (R)-(−)-α-Hydroxy-β,β-dimethyl-γ-butyrolactone;(R)-(−)-β,β-Dimethyl-α-hydroxy-γ-butyrolactone;(R)-(−)-Pantolactone;Pantoic acid γ-lactone
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2028 2051 2033 2034 2077 2029 2077 2008 2006 1998 1998 2033 2022.6

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 130.14 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 130.062994177 g/mol
Monoisotopic Mass 130.062994177 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 139
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(R)-pantolactone is a butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 3 and two methyl groups at position 4 (the R-stereoisomer). It has a role as a Saccharomyces cerevisiae metabolite. It is functionally related to a (R)-pantoic acid.