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2-Ethyl-2-hydroxybutanenitrile

2-Ethyl-2-hydroxybutanenitrile structure

CAS No:
34451-66-6
Formula:
C6H11NO
Chemical Name:
2-Ethyl-2-hydroxybutanenitrile
Synonyms:
Butanenitrile,2-ethyl-2-hydroxy-;Butyronitrile,2-ethyl-2-hydroxy-;2-Ethyl-2-hydroxybutanenitrile;Diethyl ketone cyanohydrin;2-Ethyl-2-hydroxybutyronitrile;3-Pentanone cyanohydrin

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2-Ethyl-2-hydroxybutanenitrile Basic Attributes

Molecular Weight：

113.16

Exact Mass：

113.16

EC Number：

252-037-9

DSSTox ID：

DTXSID10188025

Characteristics

PSA：

44.02000

XLogP3：

1.06108

Density：

0.9300 g/cm³ @ Temp: 18.5 °C

Boiling Point：

97.5 °C @ Press: 18.5 Torr

Flash Point：

83.5ºC

Refractive Index：

1.44

PKA：

11.45±0.29

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:113.16
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:113.084063974
Monoisotopic Mass:113.084063974
Topological Polar Surface Area:44
Heavy Atom Count:8
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Ethyl-2-hydroxybutanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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