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Hexanoic acid, 2-cyano-, ethyl ester

Hexanoic acid, 2-cyano-, ethyl ester structure

CAS No:
7391-39-1
Formula:
C9H15NO2
Chemical Name:
Hexanoic acid, 2-cyano-, ethyl ester
Synonyms:
Hexanoic acid,2-cyano-,ethyl ester;Ethyl 2-cyanohexanoate;Ethyl α-cyanohexanoate;Ethyl butylcyanoacetate;NSC 67981

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Hexanoic acid, 2-cyano-, ethyl ester Basic Attributes

Molecular Weight：

169.22100

Exact Mass：

169.22

EC Number：

230-978-6

NSC Number：

67981

HScode：

2926909090

Characteristics

PSA：

50.09000

XLogP3：

1.87948

Density：

0.9576 g/cm³ @ Temp: 18 °C

Boiling Point：

230-233 °C @ Press: 734 Torr

Flash Point：

93.5ºC

Refractive Index：

1.433

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:169.22
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:169.110278721
Monoisotopic Mass:169.110278721
Topological Polar Surface Area:50.1
Heavy Atom Count:12
Complexity:180
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexanoic acid, 2-cyano-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Hexanoic acid, 2-cyano-, ethyl ester

SDS

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