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3,6-Dimethyl-3,6-octanediol

3,6-Dimethyl-3,6-octanediol structure

CAS No:
78-65-9
Formula:
C10H22O2
Chemical Name:
3,6-Dimethyl-3,6-octanediol
Synonyms:
3,6-Octanediol,3,6-dimethyl-;3,6-Dimethyl-3,6-octanediol;NSC 5614

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3,6-Dimethyl-3,6-octanediol Basic Attributes

Molecular Weight：

174.28000

Exact Mass：

174.28

EC Number：

201-130-2

NSC Number：

5614

Characteristics

PSA：

40.46000

XLogP3：

2.08860

Density：

0.9363 g/cm³ @ Temp: 0 °C

Melting Point：

45-48℃

Boiling Point：

172-173 °C

Flash Point：

103.2ºC

Refractive Index：

1.456

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37-S39

Computed Properties

Molecular Weight:174.28
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:174.161979940
Monoisotopic Mass:174.161979940
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:120
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,6-Dimethyl-3,6-octanediol

Basic Attributes
Characteristics
Safety Information
Computed Properties

3,6-Dimethyl-3,6-octanediol

SDS

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