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2-Oxopentanoic acid

2-Oxopentanoic acid structure

CAS No:
1821-02-9
Formula:
C5H8O3
Chemical Name:
2-Oxopentanoic acid
Synonyms:
A-ketovaleric acid free acid;Ketovalericacid;Pentanoic acid, 2-oxo-;2-oxo-n-valeric acid;α-Ketovaleric acid, 2-Oxopentanoic acid;ALPHA-KETO-N-VALERIC ACID;ALPHA-KETOVALERIC ACID;2-OXOPENTANOIC ACID

Description

Liquid

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.

2-Oxovaleric acid, also known as 2-oxovalerate or a-ketovalerate, belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. 2-Oxovaleric acid has been detected, but not quantified in, several different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), domestic pigs (Sus scrofa domestica), and herbs and spices. This could make 2-oxovaleric acid a potential biomarker for the consumption of these foods. 2-Oxovaleric acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites.

2-Oxopentanoic acid Basic Attributes

Molecular Weight：

116.12

Exact Mass：

116.12

BRN：

635884

EC Number：

217-340-2

UNII：

01I0OE93A7

DSSTox ID：

DTXSID3021647

Color/Form：

Colorless to light yellow

HScode：

2918.30.9000

Characteristics

XLogP3：

0.35

Density：

1.110 g/mL at 20 °C(lit.)

Melting Point：

7-9 °C(lit.)

Boiling Point：

88-90 °C12 mm Hg(lit.)

Refractive Index：

n20/D 1.432

PKA：

2.65±0.54(Predicted)

Collision Cross Section：

131.64 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|173.8 Å² [M-H]-

Critical Temperature & Pressure：

2-8°C

Safety Information

wgk germany：

hazard class code：

safety instructions：

26-36

Hazard Statements：

36/37/38

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-ketopentanoic acid

2-Oxopentanoic acid Use and Manufacturing

Uses

2-Oxovaleric Acid can be used as a carbon source for immobilized bacteria in micro-biosensors.

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]

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Guide of 2-Oxopentanoic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
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