CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless liquid; ethereal, fruity, somewhat herbaceous, winey, fermented apple-like odour |
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Boiling Point | 89.00 to 91.00 °C. @ 6.00 mm Hg |
Solubility | insoluble in water; soluble in alcohol |
Density | 0.954 (10°) |
Refractive Index | 1.426-1.433 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation 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. |
COMPUTED DESCRIPTORS
Molecular Weight | 172.22 g/mol |
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XLogP3 | 1.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 6 |
Exact Mass | 172.109944368 g/mol |
Monoisotopic Mass | 172.109944368 g/mol |
Topological Polar Surface Area | 43.4 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 161 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
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
3-Methylbutyl 3-oxobutanoate is an oxo carboxylic acid.