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85213-22-5

85213-22-5 structural image
Product Name: Ethanone, 1-(3,4-dihydro-2H-pyrrol-5-yl)- (9CI)
Formula: C6H9NO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless to yellow solid; Fishy aroma
Boiling Point 182.00 to 183.00 °C. @ 760.00 mm Hg
Melting Point 19.00 °C. @ 760.00 mm Hg
Solubility Soluble in water
Kovats Retention Index 930 896 892 892 892 898

SAFETY INFORMATION

Signal word Warning
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.
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 111.14 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 111.068413911 g/mol
Monoisotopic Mass 111.068413911 g/mol
Topological Polar Surface Area 29.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 138
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

2-acetyl-1-pyrroline is a pyrroline that is 1-pyrroline in which the hydrogen at position 2 is replaced by an acetyl group. It is an aroma and flavour compound present in jasmine rice and basmati rice. It is responsible for the 'popcorn' aroma in a large variety of cereal and food products. It is one of the key odourants of the crust of bread and considered to be responsible for the cracker-like odour properties. In bread, it is primarily generated during baking but amounts are influenced by ingredient composition and fermentation conditions. It has a role as a metabolite, a flavouring agent and a Maillard reaction product. It is a methyl ketone, a pyrroline and an acylimine.

RELATED SUPPLIERS

Varanous Labs Pvt Ltd

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product:85213-22-5 2-Acetyl pyrroline 98%
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