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1,1-Diethoxy-2-octyne

1,1-Diethoxy-2-octyne structure

CAS No:
16387-55-6
Formula:
C12H22O2
Chemical Name:
1,1-Diethoxy-2-octyne
Synonyms:
2-Octyne,1,1-diethoxy-;2-Octynal,diethyl acetal;1,1-Diethoxy-2-octyne

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1,1-Diethoxy-2-octyne Basic Attributes

Molecular Weight：

198.30200

Exact Mass：

198.30

EC Number：

240-438-1

DSSTox ID：

DTXSID30167670

HScode：

2911000000

Characteristics

PSA：

18.46000

XLogP3：

2.96920

Density：

0.889g/cm3

Boiling Point：

120-123 °C @ Press: 18 Torr

Flash Point：

98.3ºC

Refractive Index：

n20/D 1.436(lit.)

Vapor Pressure：

0.0557mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

26-37/39

Marks：

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:198.30
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:18.5
Heavy Atom Count:14
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Diethoxy-2-octyne

Basic Attributes
Characteristics
Safety Information
Computed Properties

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