CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Boiling Point | 199 °C |
Melting Point | < 25 °C |
Solubility | Miscible with ethanol, ethyl ether; very soluble in acetone; soluble in benzene, chloroform |
Density | 1.0189 g/cu cm at 21 °C |
Refractive Index | Index of refraction: 1.5413 at 21 °C/D |
Kovats Retention Index | 1060.6 1070.4 1056 1053 1056.9 1081 1034 1040 |
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 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. 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 | 120.15 g/mol |
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XLogP3 | 2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Exact Mass | 120.057514874 g/mol |
Monoisotopic Mass | 120.057514874 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 98.7 |
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
M-tolualdehyde is a tolualdehyde compound with the methyl substituent at the 3-position. It has a role as a plant metabolite.