CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless liquid; Burnt phenolic aroma |
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Solubility | Practically insoluble to insoluble in water |
Density | 1.052-1.057 |
Refractive Index | 1.548-1.560 |
Kovats Retention Index | 1131 1109 1109 1117 1107 1109 1123 180 184.5 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H227:Flammable liquids H302:Acute toxicity,oral |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 132.16 g/mol |
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XLogP3 | 2.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
Exact Mass | 132.057514874 g/mol |
Monoisotopic Mass | 132.057514874 g/mol |
Topological Polar Surface Area | 13.1 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 122 |
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
2-Methylcumarone is a member of benzofurans.