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2-Methylpropyl 2-cyanoacetate

2-Methylpropyl 2-cyanoacetate structure

CAS No:
13361-31-4
Formula:
C7H11NO2
Chemical Name:
2-Methylpropyl 2-cyanoacetate
Synonyms:
Acetic acid,2-cyano-,2-methylpropyl ester;Acetic acid,cyano-,isobutyl ester;Acetic acid,cyano-,2-methylpropyl ester;Acetic acid,cyano-,iso-butyl ester;2-Methylpropyl 2-cyanoacetate;Isobutyl cyanoacetate;Cyanoacetic acid isobutyl ester;Isobutyl 2-cyanoacetate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

CLEAR COLOURLESS LIQUID

2-Methylpropyl 2-cyanoacetate Basic Attributes

Molecular Weight：

141.17

Exact Mass：

141.17

EC Number：

236-422-9

UNII：

ID1WNZ1D0S

DSSTox ID：

DTXSID6065424

HScode：

29269090

Characteristics

PSA：

50.1

XLogP3：

1.09928

Appearance：

colourless transparent liquid

Density：

0.99342 g/cm³ @ Temp: 20 °C

Melting Point：

-26ºC

Boiling Point：

222.8-223.3 °C @ Press: 757 Torr

Flash Point：

106 °C

Refractive Index：

1.4212-1.4232

Water Solubility：

IMMISCIBLE

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0.304mmHg at 25°C

Toxicity：

Oral-Rat LD50: 4520 mg/kg

Flammability characteristics：

Open flame is flammable; high heat emits toxic nitrogen oxides and cyanide gas

Safety Information

hazard class code：

36/37/38

RTECS Number：

AG4250000

Marks：

Storage features：

The warehouse is ventilated at low temperature and dry; stored separately from oxidants, acids and food additives

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

2-Methylpropyl 2-cyanoacetate Use and Manufacturing

Manufacturing Info：

Acetic acid, 2-cyano-, 2-methylpropyl ester: INACTIVE

Computed Properties

Molecular Weight:141.17
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:141.078978594
Monoisotopic Mass:141.078978594
Topological Polar Surface Area:50.1
Heavy Atom Count:10
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Price Analysis

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Guide of 2-Methylpropyl 2-cyanoacetate

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

2-Methylpropyl 2-cyanoacetate

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