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Butane, 1,1-dibutoxy-

Butane, 1,1-dibutoxy- structure

CAS No:
5921-80-2
Formula:
C12H26O2
Chemical Name:
Butane, 1,1-dibutoxy-
Synonyms:
1,1-DIBUTOXYBUTANE;Butane, 1,1-dibutoxy-;butyraldehyde dibutyl acetal;Butyraldehyde, dibutyl acetal;BUTANAL DIBUTYL ACETAL;Q63395647;Lageracetal;Butane,1,1-dibutoxy-;ButyraldehydeDibutylAcetal;SCHEMBL351162
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Butane, 1,1-dibutoxy- Basic Attributes

Molecular Weight：

202.338

Exact Mass：

202.19300

DSSTox ID：

DTXSID60207957

Characteristics

PSA：

18.5

XLogP3：

3.74600

Density：

0.844g/cm3

Boiling Point：

214°C(lit.)

Flash Point：

51ºC

Refractive Index：

1.423

Safety Information

Hazard category：

Transport codes：

1993

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:202.33
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:202.193280068
Monoisotopic Mass:202.193280068
Topological Polar Surface Area:18.5
Heavy Atom Count:14
Complexity:94.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes