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87414-49-1

87414-49-1 structural image
Product Name: BUTYROLACTONE I
Formula: C24H24O7
Synonyms: Butyrolactone I - CAS 87414-49-1 - Calbiochem
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SAFETY INFORMATION

Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 424.4 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 424.15220310 g/mol
Monoisotopic Mass 424.15220310 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 743
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

Butyrolactone i is a natural product found in Aspergillus terreus and Glycine max with data available.