ChemicalBook--->CAS DataBase List--->1071-46-1

1071-46-1

1071-46-1 Structure

1071-46-1 Structure
IdentificationMore
[Name]

Ethyl hydrogen malonate
[CAS]

1071-46-1
[Synonyms]

ETHYL HYDROGEN MALONATE
MONOETHYL MALONATE
3-ethoxy-3-oxapropanoic acid
Monoethyl malonic acid
3-ethoxy-3-oxo-propanoic acid
Ethyl hydrogen malonate, 90+%
Ethoxycarbonylacetic acid
Malonic acid 1-ethyl
Malonic acid 1-ethyl ester
Malonic acid hydrogen 1-ethyl ester
[EINECS(EC#)]

213-992-7
[Molecular Formula]

C5H8O4
[MDL Number]

MFCD00020490
[Molecular Weight]

132.11
[MOL File]

1071-46-1.mol
Chemical PropertiesBack Directory
[Melting point ]

-13°C(lit.)
[Boiling point ]

106.5 °C/3 mmHg (lit.)
[density ]

1.119 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.435(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly)
[form ]

Liquid
[pka]

pK1:3.55 (25°C)
[color ]

Pale yellow
[Water Solubility ]

Miscible with water, chloroform and other solvents.
[BRN ]

1758845
[InChI]

InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)
[InChIKey]

HGINADPHJQTSKN-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)CC(O)=O
[CAS DataBase Reference]

1071-46-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

29171900
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

6-Benzyl-2-thiouracil-->RARECHEM AL BI 0736-->4-Hydroxy-3,5-dimethoxycinnamic acid-->Amlexanox-->tert-Butyl ethyl malonate-->Ethyl potassium malonate-->Ethyl 2,6-dichloro-5-fluoro-pyridine-3-acetoacetate-->3-Cyclopropyl-3-oxo-propionic acid ethyl ester-->Ethyl 3-methoxyphenylacetate-->Ethyl isobutyrylacetate-->tert-Butyl 3-(ethoxycarbonyl)-2-oxopropylcarbamate-->Ethyl (2-methoxybenzoyl)acetate-->3-(3,4-Dichloro-phenyl)-3-oxo-propionic acid ethyl ester-->Ethyl 2-(2-chlorophenyl)acetate-->3-(4-Bromo-2-fluoro-3-methoxy-phenyl)-3-oxo-propionic acid ethyl ester-->Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate
Hazard InformationBack Directory
[Chemical Properties]

Yellow liquid
[Uses]

Ethyl Hydrogen Malonate has been shown to impair brain mitochondrial succinate and malate transport. It is also found in the extract of Hericum erinaceus mushroom which shows antitumor effects in tumo r-bearing mice.
[Definition]

ChEBI: Monoethyl malonic acid is a dicarboxylic acid.
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 4, p. 417, 1963
Tetrahedron Letters, 26, p. 1411, 1985 DOI: 10.1016/S0040-4039(00)99058-0
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl hydrogen malonate(1071-46-1)1HNMR
Ethyl hydrogen malonate(1071-46-1)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Ethyl hydrogen malonate, 96%(1071-46-1)
[Sigma Aldrich]

1071-46-1(sigmaaldrich)
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