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1821-02-9

1821-02-9 structural image
Product Name: 2-Oxopentanoic acid
Formula: C5H8O3
Synonyms: α-Ketovaleric acid;2-Oxopentanoic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Melting Point 6.5 °C
LogP 0.35
Collision Cross Section 131.64 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]

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 116.11 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 116.047344113 g/mol
Monoisotopic Mass 116.047344113 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 106
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

2-oxopentanoic acid is an oxopentanoic acid carrying an oxo group at position 2. It has a role as a human metabolite. It is a 2-oxo monocarboxylic acid and an oxopentanoic acid. It is a conjugate acid of a 2-oxopentanoate.

RELATED SUPPLIERS

ARRKEM LIFE SCIENCES PRIVATE LIMITED

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product:1821-02-9 2-Oxovaleric Acid 98%
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