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Ethyl 2,2-dimethylacetoacetate

Ethyl 2,2-dimethylacetoacetate structure

CAS No:
597-04-6
Formula:
C8H14O3
Chemical Name:
Ethyl 2,2-dimethylacetoacetate
Synonyms:
Butanoic acid,2,2-dimethyl-3-oxo-,ethyl ester;Acetoacetic acid,2,2-dimethyl-,ethyl ester;Ethyl 2,2-dimethyl-3-oxobutyrate;Ethyl α,α-dimethylacetoacetate;Ethyl 2,2-dimethylacetoacetate;Ethyl 2,2-dimethyl-3-oxobutanoate;Ethyl acetyldimethylacetate;2-Acetyl-2-(ethoxycarbonyl)propane;Ethyl 2-acetyl-2-methylpropionate;2,2-Dimethyl-3-oxobutyric acid ethyl ester;NSC 29039;2,2-Dimethyl-3-oxobutanoic acid ethyl ester

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Description

Colorless Oil

Ethyl 2,2-dimethylacetoacetate Basic Attributes

Molecular Weight：

158.19500

Exact Mass：

158.20

EC Number：

209-892-8

NSC Number：

29039

DSSTox ID：

DTXSID00208403

Characteristics

PSA：

43.37000

XLogP3：

1.16470

Density：

0.9784 g/cm³ @ Temp: 20 °C

Boiling Point：

182 °C

Flash Point：

113.7ºC

Refractive Index：

1.42

Storage Conditions：

Refrigerator

Safety Information

GHS Classification：

|Warning|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Ethyl 2,2-dimethylacetoacetate Use and Manufacturing

2,2-Dimethyl-acetoacetic Acid Ethyl Ester is used in the synthesis of esters of α,α-dimethyl-β-keto acids.

Computed Properties

Molecular Weight:158.19
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 2,2-dimethylacetoacetate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Ethyl 2,2-dimethylacetoacetate

SDS

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