3,3-Dimethyl-2-oxobuttersure

Trimethylpyruvic acid

HCID 13150CAS 815-17-8
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Grundinformationen

Standard-SMILES
CC(C)(C)C(=O)C(=O)O
InChIKey
IAWVHZJZHDSEOC-UHFFFAOYSA-N
Summenformel
C6H10O3
Durchschnittliche Molmasse
130,14 g/mol
Monoisotopische Masse
130,06299418

Überblick

3,3-dimethyl-2-oxobutanoic acid is a 2-oxo monocarboxylic acid that is 3,3-dimethylbutyric acid substituted by an oxo group at position 2. It is functionally related to a 3,3-dimethylbutyric acid.

Namen und Bezeichner

Bevorzugter Name
Trimethylpyruvic acid
IUPAC
3,3-dimethyl-2-oxobutanoic acid
Lokaler Name
3,3-Dimethyl-2-oxobuttersure
Englischer Name
3,3-Dimethyl-2-oxobutyric acid
Summenformel
C6H10O3
Molmasse
130.14

Namen und Synonyme

3,3-Dimethyl-2-oxobutyric acid3,3-Dimethyl-2-oxobutanoic acidTRIMETHYLPYRUVIC ACIDButanoic acid, 3,3-dimethyl-2-oxo-Pyruvic acid, trimethyl-Glyoxylic acid, tert-butyl-DTXSID9027314UNII-29CL615CLHButyric acid, 3,3-dimethyl-2-oxo-NSC-1664829CL615CLH2-oxo-3,3-dimethylbutyric acid
Weitere Namen anzeigen
ca.60%aq.soln.TriMethyl pyruvateRARECHEM AL BO 2323tert-butylglyoxylicacidTrimethylpyruvic acid（TPMA)3,3-dimethyl-2-oxobutyricacid
HSDB 5757trimethylpyroracemic acidEINECS 212-418-2NSC 16648AI3-11509DTXCID2073142-oxo-3,3-dimethylbutanoic acidCHEBI:180663

Datenbank-Bezeichner

CAS
815-17-8
PubChem CID
13150
DTXSID
DTXSID9027314
ChEMBL
CHEMBL3182620
ChEBI
CHEBI:180663
UNII
29CL615CLH
EC Number
212-418-2
Nikkaji
J193.202K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,1
Polarare Oberfläche (TPSA)
54,4 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Organic Acids
Physical DescriptionCrystalline solid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt
90.5 °C · 90.5°C
Siedepunkt
80 °C · 80 °C / 15mmHg
Dichte
1.06 · 1.06
Brechungsindex
1.427 · 1.4270-1.4320
Flammpunkt
13 °C · 13 °C
storage temp.
Inert atmosphere,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.

Danger

H314 (94%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22695
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (94%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk
WGK 3
tsca
TSCA listed
ridadr
3261
hs_code
2918300090
risk_code
36/37/38-34
hazard_code
C

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationButanoic acid, 3,3-dimethyl-2-oxo-: ACTIVE

Anwendungen

Verwenden3,3-Dimethyl-2-oxobutyric acid was used as an inhibitor in a study for tuberculosis,as it was analyzed for its binding affinity to pantothenate synthetase (PS), an essential metabolic enzyme in the pantothenate biosynthetic.

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]
INTATRADE GmbH+49 3493/605464 · [email protected]
张家港博迈化学有限公司15601563028
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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