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DIETHYL ITACONATE

DIETHYL ITACONATE structure

CAS No:
57718-07-7
Formula:
C7H10O4
Chemical Name:
DIETHYL ITACONATE
Synonyms:
DIETHYL ITACONATE;ITACONIC ACID DIETHYL ESTER;4-Ethoxy-2-methylene-4-oxobutyric acid;Ethyl itaconate, min. 95 %;2-Methylenesuccinic acid 4-ethyl ester;3-Methylenesuccinic acid hydrogen 1-ethyl ester;3-Monoethyl 1-propene-2,3-dicarboxylate;Itaconic acid 4-ethyl ester
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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DIETHYL ITACONATE Basic Attributes

Molecular Weight：

158.15

Exact Mass：

158.05800

UNII：

5P4O02U3EZ

HScode：

2918990090

Characteristics

PSA：

63.6

XLogP3：

0.5

Density：

1.153g/cm3

Melting Point：

56 °C

Boiling Point：

153 °C / 12mmHg

Flash Point：

122.5ºC

Refractive Index：

1.457

Storage Conditions：

0-10°C

Safety Information

Marks：

Hazard note：

Irritant

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:158.15
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:158.05790880
Monoisotopic Mass:158.05790880
Topological Polar Surface Area:63.6
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes