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93-53-8

93-53-8 structural image
Product Name: 2-PHENYLPROPIONALDEHYDE
Formula: C9H10O
Synonyms: 2-Phenylpropanal;Hydratropaldehyde
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid; [Alfa Aesar MSDS]
Boiling Point 92.00 to 94.00 °C. @ 12.00 mm Hg
Solubility Soluble in most fixed oils; Slightly soluble in propylene glycol; Insoluble in glycerin
Density 0.998-1.006
Refractive Index 1.515-1.520
Kovats Retention Index 1080 1083.9 1039 1090
Chemical Classes Other Classes -> Aldehydes

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
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.
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 134.17 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 134.073164938 g/mol
Monoisotopic Mass 134.073164938 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 103
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-phenylpropanal is a member of the class of phenylacetaldehydes that is phenylacetaldehyde in which a hydrogen alpha to the aldehyde carbonyl group has been replaced by a methyl group. The major species at pH 7.3.