122-48-5
Product Name:
Vanillylacetone
Formula:
C11H14O3
Synonyms:
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone;Vanillyl acetone;Vanillylacetone;Zingerone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid with a spicy pungent odor like ginger; [Merck Index] Commercial substance: Yellowish liquid; [HSDB] Solid; [MSDSonline] |
|---|---|
| Color/Form | Crystals from acetone, petroleum ether, ether plus petroleum ether |
| Odor | STRONG, PUNGENT ODOR REMINISCENT OF GINGER |
| Taste | SHARP TASTE SIMILAR TO GINGER |
| Boiling Point | 187-188 °C @ 14 mm Hg |
| Melting Point | 40.5 °C |
| Flash Point | APPROX 102 °C |
| Solubility | Sparingly sol in water, petroleum ether; sol in ether, dil alkalies |
| Density | 1.138-1.139 @ 25 °C |
| Refractive Index | INDEX OF REFRACTION: 1.5440-1.5450 @ 20 °C/D |
| Kovats Retention Index | 1648 1596 1607 1625 1625 1625 |
| Other Experimental Properties | YELLOWISH LIQUID /COMMERCIAL PRODUCT/ |
| Chemical Classes | Other Uses -> Food Additives |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H303: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. 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 | 194.23 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.094294304 g/mol |
| Monoisotopic Mass | 194.094294304 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 191 |
| 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
Zingerone is a methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by methoxy and hydroxy groups respectively. The major pungent component in ginger. It has a role as an antioxidant, an anti-inflammatory agent, a radiation protective agent, an antiemetic, a flavouring agent, a fragrance and a plant metabolite. It is a member of phenols, a monomethoxybenzene and a methyl ketone.