CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | white to light yellow powder |
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Boiling Point | 295.00 to 296.00 °C. @ 760.00 mm Hg |
Melting Point | 57.00 °C. @ 760.00 mm Hg |
Solubility | insoluble in water; soluble in organic solvents, oils |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
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. |
COMPUTED DESCRIPTORS
Molecular Weight | 236.26 g/mol |
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XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 6 |
Exact Mass | 236.10485899 g/mol |
Monoisotopic Mass | 236.10485899 g/mol |
Topological Polar Surface Area | 52.6 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 262 |
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
Ethyl vanillin isobutyrate is a member of the class of benzaldehydes that is benzaldehyde substituted by an ethoxy group at position 3 and by a (2-methylpropanoyl)oxy group at position 4. It has a role as a flavouring agent. It is an aromatic ether, a member of benzaldehydes and a carboxylic ester.