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3068-88-0

3068-88-0 structural image
Product Name: BETA-BUTYROLACTONE
Formula: C4H6O2
Synonyms: β-Methyl-β-propiolactone;3-Hydroxybutyric acid β-lactone;4-Methyl-2-oxetanone;beta-Butyrolactone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Beta-butyrolactone is a clear colorless liquid with an acetone-like odor. (NTP, 1992)
Boiling Point 160 to 163 °F at 29 mmHg (NTP, 1992)
Melting Point -46.3 °F (NTP, 1992)
Flash Point 140 °F (NTP, 1992)
Solubility greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
Density 1.0555 at 68 °F (NTP, 1992) - Denser than water; will sink
Vapor Pressure 0.5 mmHg at 108 °F ; 5.5 mmHg at 124 °F; 18.5 mmHg at 163 °F (NTP, 1992)
Kovats Retention Index 732
Chemical Classes Other Classes -> Lactones

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H351:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 86.09 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 86.036779430 g/mol
Monoisotopic Mass 86.036779430 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 77.6
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Beta-butyrolactone is a clear colorless liquid with an acetone-like odor. (NTP, 1992)