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Diisopropyl malonate

Diisopropyl malonate structure

CAS No:
13195-64-7
Formula:
C9H16O4
Chemical Name:
Diisopropyl malonate
Synonyms:
Propanedioic acid,1,3-bis(1-methylethyl) ester;Malonic acid,diisopropyl ester;Propanedioic acid,bis(1-methylethyl) ester;Diisopropyl malonate;NSC 406716;Diisopropyl propanedioic acid;1,3-Bis(propan-2-yl) propanedioate
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear colorless liquid

Diisopropyl malonate Basic Attributes

Molecular Weight：

188.223

Exact Mass：

188.22

EC Number：

236-156-3

NSC Number：

406716

DSSTox ID：

DTXSID10157276

HScode：

29171900

Characteristics

PSA：

52.6

XLogP3：

1.7

Appearance：

Clear liquid

Density：

0.991 g/mL at 25 °C(lit.)

Melting Point：

114 °C

Boiling Point：

93-95 °C12 mm Hg(lit.)

Flash Point：

192 °F

Refractive Index：

n 20/D 1.412(lit.)

Vapor Pressure：

0.231mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:188.22
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:188.10485899
Monoisotopic Mass:188.10485899
Topological Polar Surface Area:52.6
Heavy Atom Count:13
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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