CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless liquid with a mushroom odour with rosy undertone |
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Solubility | insoluble in water; soluble in organic solvents, oils |
Density | 1.029-1.040 |
Refractive Index | 1.515-1.526 |
Kovats Retention Index | 1463 1465 1474 1466 |
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 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 | 190.24 g/mol |
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XLogP3 | 2.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 4 |
Exact Mass | 190.099379685 g/mol |
Monoisotopic Mass | 190.099379685 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 212 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Benzyl trans-2-methyl-2-butenoate is a carboxylic ester. It is functionally related to a benzyl alcohol.