2-Oxovaleriansure

2-Oxovaleric acid

HCID 74563CAS 1821-02-9
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Grundinformationen

Standard-SMILES
CCCC(=O)C(=O)O
InChIKey
KDVFRMMRZOCFLS-UHFFFAOYSA-N
Summenformel
C5H8O3
Durchschnittliche Molmasse
116,11 g/mol
Monoisotopische Masse
116,04734412

Überblick

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

Namen und Bezeichner

Bevorzugter Name
2-Oxovaleric acid
IUPAC
2-oxopentanoic acid
Lokaler Name
2-Oxovaleriansure
Englischer Name
2-Oxopentanoic acid
Summenformel
C5H8O3
Molmasse
116.12

Namen und Synonyme

2-Oxopentanoic acid2-Oxovaleric acid1821-02-92-Ketopentanoic acid01I0OE93A7CHEBI:33033RefChem:910188217-340-2alpha-Ketovaleric acidPentanoic acid, 2-oxo-2-Ketovaleric Acid2-keto valeric acid
Weitere Namen anzeigen
Ketovalericacidα-Oxovaleric acid2-OxovalericAcid>2-oxo-n-valeric acid
2-Oxo-n-valeric acid2-oxo-pentanoic acid2-Oxovalerate2-Keto-n-valeric acidDTXSID3021647alpha-Oxopentanoic acidMFCD00066435.alpha.-Keto-n-valeric acid

Datenbank-Bezeichner

CAS
1821-02-9
PubChem CID
74563
DTXSID
DTXSID3021647
ChEMBL
CHEMBL1162544
ChEBI
CHEBI:33033
UNII
01I0OE93A7
EC Number
217-340-2
Nikkaji
J150.812A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,5
Polarare Oberfläche (TPSA)
54,4 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
LogP0.35
Melting Point6.5 °C
Physical DescriptionLiquid
Collision Cross Section · 2 Einträge

131.64 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

130.8 Ų [M+Na]+

Physikochemische Eigenschaften

Schmelzpunkt
7 · 7-9 °C(lit.)
Siedepunkt
88 · 88-90 °C12 mm Hg(lit.)
Dichte
1.11 g/mL · 1.110 g/mL at 20 °C(lit.)
Brechungsindex
20 · n20/D 1.432
Flammpunkt
94 °C · 94°C
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Oxo-N-valeric acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F
10-21
wgk
3
hs_code
2918.30.9000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2-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.

Verwenden2-Oxovaleric Acid can be used as a carbon source for immobilized bacteria in micro-biosensors.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 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.

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