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Diethyl 1,3-acetonedicarboxylate

Diethyl 1,3-acetonedicarboxylate structure

CAS No:
105-50-0
Formula:
C9H14O5
Chemical Name:
Diethyl 1,3-acetonedicarboxylate
Synonyms:
Pentanedioic acid,3-oxo-,1,5-diethyl ester;Glutaric acid,3-oxo-,diethyl ester;Pentanedioic acid,3-oxo-,diethyl ester;Glutaric acid,β-oxo-,diethyl ester;Diethyl acetonedicarboxylate;Diethyl 3-oxoglutarate;3-Oxopentanedioic acid diethyl ester;Diethyl 3-oxopentanedioate;Diethyl β-oxoglutarate;Acetonedicarboxylic acid diethyl ester;Diethyl 1,3-acetonedicarboxylate;Diethyl 2-oxopropane-1,3-dicarboxylate;Diethyl 3-ketoglutarate;β-Ketoglutaric acid diethyl ester;Diethyl β-ketoglutarate;NSC 9013;1,3-Acetonedicarboxylic acid diethyl ester;1,5-Diethyl 3-oxopentanedioate;31096-04-5
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

clear colorless to pale yellow liquid

Diethyl 1,3-acetonedicarboxylate Basic Attributes

Molecular Weight：

202.2

Exact Mass：

202.20

EC Number：

203-302-2

UNII：

Q0CC9NL00V

NSC Number：

9013

DSSTox ID：

DTXSID1059317

HScode：

29183000

Characteristics

PSA：

69.7

XLogP3：

2.08

Appearance：

Colourless and oily liquid

Density：

1.032 g/cm³ @ Temp: 20 °C

Melting Point：

125 °C

Boiling Point：

250 °C

Flash Point：

187 °F

Refractive Index：

n 20/D 1.440(lit.)

Water Solubility：

10 g/L (20 ºC)

Storage Conditions：

2-8ºC

Vapor Pressure：

0.0605mmHg at 25°C

Safety Information

Transport codes：

UN 2810

wgk germany：

hazard class code：

R36/37/38

safety instructions：

23-24/25-36-26

Marks：

F,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Diethyl 1,3-acetonedicarboxylate Use and Manufacturing

Manufacturing Info：

Pentanedioic acid, 3-oxo-, 1,5-diethyl ester: ACTIVE

Computed Properties

Molecular Weight:202.20
XLogP3:0.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:202.08412354
Monoisotopic Mass:202.08412354
Topological Polar Surface Area:69.7
Heavy Atom Count:14
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Diethyl 1,3-acetonedicarboxylate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Diethyl 1,3-acetonedicarboxylate

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