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122-48-5

122-48-5 structural image
Product Name: Vanillylacetone
Formula: C11H14O3
Synonyms: 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone;Vanillyl acetone;Vanillylacetone;Zingerone
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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.

RELATED SUPPLIERS

Laurus Labs Ltd

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