Ethylmalonsure

Ethylmalonic acid

HCID 11756CAS 601-75-2
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Grundinformationen

Standard-SMILES
CCC(C(=O)O)C(=O)O
InChIKey
UKFXDFUAPNAMPJ-UHFFFAOYSA-N
Summenformel
C5H8O4
Durchschnittliche Molmasse
132,11 g/mol
Monoisotopische Masse
132,04225873

Namen und Bezeichner

Bevorzugter Name
Ethylmalonic acid
IUPAC
2-ethylpropanedioic acid
Lokaler Name
Ethylmalonsure
Englischer Name
ETHYLMALONIC ACID
Summenformel
C5H8O4
Molmasse
132.11

Namen und Synonyme

ETHYLMALONIC ACID601-75-22-ethylpropanedioic acidPropanedioic acid, ethyl-1,1-Propanedicarboxylic acidalpha-Carboxybutyric acid432NF49DFG2-ethyl-propanedioic acidCHEBI:741548NSC-96615DTXSID00208842RefChem:596788
Weitere Namen anzeigen
2-EthylmalonicaciRARECHEM DK HD C012EthylmalonicAcid>Malonic acid, ethyl-2-ethylpropanedioateEthyl propoinic acidEthylmalonicacid,98%Ethylmalonic acid 97%
DTXCID50131333210-007-22-Ethylmalonic acidethylpropanedioic acidethylmalonateMalonic acid, ethyl-MFCD00002668.alpha.-Carboxybutyric acid

Datenbank-Bezeichner

CAS
601-75-2
PubChem CID
11756
DTXSID
DTXSID00208842
ChEMBL
CHEMBL1160009
ChEBI
CHEBI:741548
UNII
432NF49DFG
EC Number
210-007-2
Nikkaji
J134.569I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,4
Polarare Oberfläche (TPSA)
74,6 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Solubility712.0 mg/mL
Melting Point112 - 114 °C
Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
112 · 112-114 °C (lit.)
Siedepunkt
292.77 °C · 292.77°C (rough estimate)
Dichte
1.5633 · 1.5633 (rough estimate)
Brechungsindex
1.4016 · 1.4016 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.7%)

Toxikologische Informationen

Health EffectsChronically high levels of ethylmalonic acid are associated with at least 2 inborn errors of metabolism including: Short Chain Acyl CoA Dehydrogenase Deficiency (SCAD Deficiency) and Ethylmalonic Encephalopathy.
Toxicity SummaryEthylmalonic acid is identified in the urine of patients with short-chain acyl-coenzyme A dehydrogenase deficiency, which is a fatty acid metabolism disorder.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Sicherheitsdaten

wgk
3
hs_code
29171990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsFibroblasts；Placenta；Prostate；Skeletal Muscle
Cellular LocationsExtracellular；Membrane

Verwendung und Herstellung

UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.

Anwendungen

VerwendenEthylmalonic acid is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]

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