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1,1-Diethoxy-3-methylbutane

1,1-Diethoxy-3-methylbutane structure

CAS No:
3842-03-3
Formula:
C9H20O2
Chemical Name:
1,1-Diethoxy-3-methylbutane
Synonyms:
Butane,1,1-diethoxy-3-methyl-;Isovaleraldehyde,diethyl acetal;1,1-Diethoxy-3-methylbutane;1,1-Diethoxyisopentane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear, colourless liquid; Fruity, fatty aroma

1,1-Diethoxy-3-methylbutane Basic Attributes

Molecular Weight：

318.49200

Exact Mass：

160.25

EC Number：

223-335-6

UNII：

SD2G66V598

DSSTox ID：

DTXSID8063208

HScode：

2911000000

Characteristics

PSA：

36.92000

XLogP3：

4.61720

Appearance：

Clear, colourless liquid; Fruity, fatty aroma

Density：

0.8356 g/cm³ @ Temp: 20 °C

Boiling Point：

167-168 °C @ Press: 750 Torr

Flash Point：

31.1ºC

Refractive Index：

1.409

Water Solubility：

Insoluble in water; soluble in organic solvents

Safety Information

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|Aggregated GHS information provided by 1374 companies from 2 notifications to the ECHA C&L Inventory.

1,1-Diethoxy-3-methylbutane Use and Manufacturing

Uses

Flavoring Agents -> JECFA Flavorings Index

Manufacturing Info：

Butane, 1,1-diethoxy-3-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:160.25
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:160.146329876
Monoisotopic Mass:160.146329876
Topological Polar Surface Area:18.5
Heavy Atom Count:11
Complexity:75.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Diethoxy-3-methylbutane

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

1,1-Diethoxy-3-methylbutane

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