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HCID 83403Erstellt: 25. Oktober 2026

Ethyl-5,5-dimethyl-2,4-dioxohexanoat

ETHYL 5,5-DIMETHYL-2,4-DIOXOHEXANOATE · (Z)-ethyl 2-hydroxy-5,5-diMethyl-4-oxohex-2-enoate · AKOS MSC-0258 · -2,4-dioxohexanoate · Ethyl pivaloylpyruvate · Ethyl trimethyacetopyruvate · Ethyl trimethylacetopyruvate · 1ETHYL TRIMETHYLACETOPYRUVATE

https://huagongshe.com/de/chemical/83403

Molekülstruktur von Ethyl-5,5-dimethyl-2,4-dioxohexanoat

Identifikatoren & physikalische Daten

CAS No.13395-36-3
SummenformelC10H16O4
Durchschnittliche Molmasse200,23 g/mol
Monoisotopische Masse200,10485899 g/mol
SMILESCCOC(=O)C(=O)CC(=O)C(C)(C)C
InChIKeyNIMKIMUBJFWPTD-UHFFFAOYSA-N
PubChem CID83403
EC No.236-478-4
DTXSIDDTXSID80158432
Lokaler NameEthyl-5,5-dimethyl-2,4-dioxohexanoat

Chemische & physikalische Eigenschaften

XLogP1,6
Polarare Oberfläche (TPSA)60,4
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen6
Schwere Atome14
Formalladung0
Komplexität247
Siedepunkt64 °C
Dichte1.046±0.06 g/cm3(Predicted)
Brechungsindex1.4700
Flammpunkt68-70°C/0.5mm
Lagerbedingungen2-8°C
Aggregatzustandclear liquid
pKa (Säurekonstante)6.98±0.46(Predicted)
FarbeLight yellow to Brown
BRN510374
InChIInChI=1S/C10H16O4/c1-5-14-9(13)7(11)6-8(12)10(2,3)4/h5-6H2,1-4H3
InChIKeyNIMKIMUBJFWPTD-UHFFFAOYSA-N
SMILESC(OCC)(=O)C(=O)CC(=O)C(C)(C)C
CAS Datenbank13395-36-3

Sicherheit & Vorschriften

GHS-EinstufungWarningH302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Zollcode2934999090
GefahrensymboleXi
Sicherheitshinweise (S)23-24/25
GefahrenklasseIRRITANT