ChemicalBook--->CAS DataBase List--->133-13-1

133-13-1

133-13-1 Structure

133-13-1 Structure
IdentificationMore
[Name]

Diethyl ethylmalonate
[CAS]

133-13-1
[Synonyms]

DEEM
DIETHYL ETHYLAMAONATE
DIETHYL ETHYLMALONATE
ETHYLMALONIC ACID DIETHYL ESTER
2-ethyl-malonicaciddiethylester
Diethyl 2-ethylmalonate
Ethylethylmalonate
Ethylmalonicacid,diethylest
Ethylmalonicester
ethyl-propanedioicaciddiethylester
ethyl-propanedioicacidiethylester
Malonic acid, ethyl-, diethyl ester
Propanedioic acid, ethyl-, diethyl ester
Diethylethylmalonat
Diethyl ethylpropanedioate
Diethyl 2-ethylpropanedioate
2-Ethylpropanedioic acid diethyl ester
[EINECS(EC#)]

205-093-3
[Molecular Formula]

C9H16O4
[MDL Number]

MFCD00009167
[Molecular Weight]

188.22
[MOL File]

133-13-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Melting point ]

0°C
[Boiling point ]

75-77 °C/5 mmHg (lit.)
[density ]

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

n20/D 1.416(lit.)
[Fp ]

191 °F
[storage temp. ]

Store below +30°C.
[solubility ]

2.87g/l
[form ]

Liquid
[pka]

13.17±0.46(Predicted)
[color ]

Clear colorless
[PH]

4.46 at 24.3℃ and 10g/L
[Water Solubility ]

immiscible
[BRN ]

607635
[InChI]

1S/C9H16O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h7H,4-6H2,1-3H3
[InChIKey]

VQAZCUCWHIIFGE-UHFFFAOYSA-N
[SMILES]

CCOC(=O)C(CC)C(=O)OCC
[LogP]

2.4 at 30℃ and pH7.93
[CAS DataBase Reference]

133-13-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanedioic acid, ethyl-, diethyl ester(133-13-1)
[EPA Substance Registry System]

133-13-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227
[Precautionary statements ]

P210e-P280a-P370+P378a-P403+P235-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

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

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29171990
[Storage Class]

10 - Combustible liquids
[Toxicity]

LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rat > 2000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Sulfuric acid-->Sodium carbonate-->Sodium cyanide-->Malonic acid-->Chloroacetic acid
[Preparation Products]

3-(AMINOMETHYL)PENTANENITRILE-->Diethyl isopropylmalonate-->ETHYLMALONIC ACID-->2-ETHYLACRYLIC ACID 98-->DIETHYL SEC-BUTYLMALONATE-->Butanoic acid, 2-(hydroxyimino)-, (E)- (9CI)-->5-Ethyl-5-(4-fluorobutyl)barbituric acid-->ODRGILDUWDVBJX-GKOSEXJESA-N-->3-Ethyl-4-hydroxy-1-Methylquinolin-2(1H)-one
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Diethyl ethylmalonate(133-13-1).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Uses]

Diethyl Ethylmalonate is used in the synthesis of HIV-1 reverse transcriptase inhibitors. Also used in the preparation of Peloruside A, a novel antimitotic agent used as a potential anti-cancer agent.
Spectrum DetailBack Directory
[Spectrum Detail]

Diethyl ethylmalonate(133-13-1)MS
Diethyl ethylmalonate(133-13-1)1HNMR
Diethyl ethylmalonate(133-13-1)13CNMR
Diethyl ethylmalonate(133-13-1)IR1
Diethyl ethylmalonate(133-13-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Diethyl ethylmalonate, 99%(133-13-1)
[Alfa Aesar]

Diethyl ethylmalonate, 99%(133-13-1)
[Sigma Aldrich]

133-13-1(sigmaaldrich)
[TCI AMERICA]

Diethyl Ethylmalonate,>98.0%(GC)(133-13-1)
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