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553-90-2

553-90-2 structural image
Product Name: Dimethyl oxalate
Formula: C4H6O4
Synonyms: Dimethyl oxalate;Oxalic acid dimethyl ester, Methyl oxalate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless solid; [Merck Index] White crystalline aggregates; [MSDSonline]
Vapor Pressure 1.14 [mmHg]
Kovats Retention Index 800 837 824.3
Chemical Classes Other Classes -> Esters, Other

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H314:Skin corrosion/irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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 118.09 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 118.02660867 g/mol
Monoisotopic Mass 118.02660867 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 92.6
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 oxalate is a diester, a methyl ester and a member of dicarboxylic acids and O-substituted derivatives. It is functionally related to an oxalic acid.

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