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498-21-5

498-21-5 structural image
Product Name: 2-Methylsuccinic acid
Formula: C5H8O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Methyl succinic acid appears as white or yellowish crystals or beige powder. (NTP, 1992)
Boiling Point Decomposes (NTP, 1992)
Melting Point 232 to 234 °F (NTP, 1992)
Solubility greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
Density 1.4105 (NTP, 1992) - Denser than water; will sink
Vapor Pressure 0.00105 [mmHg]
Collision Cross Section 124.3 Ų [M-H]- [CCS Type: DT, Method: stepped-field]
Chemical Classes Other Classes -> Organic Acids

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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 132.11 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 132.04225873 g/mol
Monoisotopic Mass 132.04225873 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 129
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

Methyl succinic acid appears as white or yellowish crystals or beige powder. (NTP, 1992)