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579-07-7

579-07-7 structural image
Product Name: 1-Phenyl-1,2-propanedione
Formula: C9H8O2
Synonyms: Acetyl benzoyl
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow liquid; [Sigma-Aldrich MSDS]
Boiling Point 103.00 to 105.00 °C. @ 14.00 mm Hg
Melting Point < 20 °C
Solubility 2.6 mg/mL at 20 °C
Density 1.096-1.116
Refractive Index 1.526-1.536
Kovats Retention Index 1166.1 1186 1175
Chemical Classes Other Classes -> Aromatic Ketones

SAFETY INFORMATION

Signal word Warning
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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 148.16 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 148.052429494 g/mol
Monoisotopic Mass 148.052429494 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 166
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

1-phenyl-1,2-propanedione is an alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee. It has a role as a plant metabolite. It is an alpha-diketone and an aromatic ketone. It derives from a hydride of a propylbenzene.

RELATED SUPPLIERS

Baba Fine Chemicals

1Y
product:579-07-7 1-Phenyl propane-1,2-dione 99%
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