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Diethyl methylmalonate

Diethyl methylmalonate structure

CAS No:
609-08-5
Formula:
C8H14O4
Chemical Name:
Diethyl methylmalonate
Synonyms:
Propanedioic acid,2-methyl-,1,3-diethyl ester;Malonic acid,methyl-,diethyl ester;Propanedioic acid,methyl-,diethyl ester;Diethyl methylmalonate;Methylmalonic acid diethyl ester;Diethyl 2-methylmalonate;Diethyl α-methylmalonate;2-Methylmalonic acid diethyl ester;NSC 8700;Diethyl methylpropanedioate;1,3-Diethyl 2-methylpropanedioate;141885-94-1;581796-71-6
Categories:
Specialty Chemicals

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Description

Clear liquid

Diethyl methylmalonate Basic Attributes

Molecular Weight：

174.19

Exact Mass：

174.19

EC Number：

210-175-7

UNII：

7KD9S8CQN2

NSC Number：

8700

DSSTox ID：

DTXSID0060565

HScode：

2917190090

Characteristics

PSA：

52.6

XLogP3：

1.4

Density：

1.0190 g/cm³ @ Temp: 20 °C

Boiling Point：

201 °C

Flash Point：

76.7±0.0 °C

Refractive Index：

1.421

Water Solubility：

immiscible

Safety Information

wgk germany：

safety instructions：

S23-S24/25

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 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Diethyl methylmalonate Use and Manufacturing

Uses

Diethyl methylmalonate is used as intermediate for the syntheses of pharmaceuticals, e.g. non-steroidal anti-inflammatory agents with 2-acrylpropionic acid structures acrylpropionic acid structure. It is also used in the flavour and fragrance industries. Product Data Sheet

Manufacturing Info：

Propanedioic acid, 2-methyl-, 1,3-diethyl ester: ACTIVE

Computed Properties

Molecular Weight:174.19
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:174.08920892
Monoisotopic Mass:174.08920892
Topological Polar Surface Area:52.6
Heavy Atom Count:12
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 609-08-5

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