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3-Methyl-1,1-bis(2-methylpropoxy)butane

3-Methyl-1,1-bis(2-methylpropoxy)butane structure

CAS No:
13439-98-0
Formula:
C13H28O2
Chemical Name:
3-Methyl-1,1-bis(2-methylpropoxy)butane
Synonyms:
Butane,3-methyl-1,1-bis(2-methylpropoxy)-;Isovaleraldehyde,diisobutyl acetal;Butane,1,1-diisobutoxy-3-methyl-;3-Methyl-1,1-bis(2-methylpropoxy)butane

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3-Methyl-1,1-bis(2-methylpropoxy)butane Basic Attributes

Molecular Weight：

216.36000

Exact Mass：

216.36

EC Number：

236-577-2

UNII：

H8F660V8EX

DSSTox ID：

DTXSID30158684

Characteristics

PSA：

18.46000

XLogP3：

3.70380

Density：

0.84g/cm3

Boiling Point：

208.1ºC

Flash Point：

40ºC

Refractive Index：

1.423

Vapor Pressure：

0.314mmHg at 25°C

3-Methyl-1,1-bis(2-methylpropoxy)butane Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:216.36
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:216.208930132
Monoisotopic Mass:216.208930132
Topological Polar Surface Area:18.5
Heavy Atom Count:15
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Methyl-1,1-bis(2-methylpropoxy)butane

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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