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15206-55-0

15206-55-0 structural image
Product Name: Methyl benzoylformate
Formula: C9H8O3
Synonyms: Methyl phenylglyoxylate;Methylphenyl glyoxylate;Phenylglyoxylic acid methyl ester, Benzoyl formic acid methyl ester
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1335.1

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H317:Sensitisation, Skin
H334:Sensitisation, respiratory
H340:Germ cell mutagenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P272:Contaminated work clothing should not be allowed out of the workplace.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P284:Wear respiratory protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 164.16 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 164.047344113 g/mol
Monoisotopic Mass 164.047344113 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 180
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

Methyl phenylglyoxalate is the methyl ester of phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a methyl ester and an alpha-ketoester. It is functionally related to a phenylglyoxylic acid.

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