1-(Allyloxy)butane

Basic Information

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CAS Number

3739-64-8

Molecular Formula

C7H14O

Molecular Weight

114.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

120°C

Flash Point

14.4±0.0 ºC,

Refractive Index

1.4161 (589.3 nm 20 ºC)

SMILES

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CCCCOCC=C

InChI

InChI=1S/C7H14O/c1-3-5-7-8-6-4-2/h4H,2-3,5-7H2,1H3

InChIKey

IBTLFDCPAJLATQ-UHFFFAOYSA-N

LogP

1.9891

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

50.3

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3.1 Class 3.1

Synonyms & References

English

NS00022114
Allyl n- butyl ether
ALLYLBUTYLETHER
BS-23469
EINECS 223-122-8
DTXSID10190825
Allyl butyl ether, 98%
D88441
Allyl n-butyl ether
AI3-18265
MFCD00009460
3-Butoxy-1-propene #
Butyl allyl ether
Ether, allyl butyl
1-(prop-2-en-1-yloxy)butane
Butane, 1-(2-propenyloxy)-
SCHEMBL42944
AKOS015912465
3739-64-8
1-(Allyloxy)butane
1-prop-2-enoxybutane
FT-0634995
Allyl butyl ether
(1S,4S)-(+)-2-(2,4-difluoro-benzyl)-2,5-diaza-bicyclo[2.2.1]heptane
Butane,1-(2-propen-1-yloxy)-
Butyl Allyl Ether
Ether,allyl butyl
n-butyl allyl ether
allyl butyl ether
1-(2-Propen-1-yloxy)butane
allyl n-butyl ether

MDL Number

MFCD00009460

Customs Code

2909199090

FAQ

What are the physical and chemical properties of 1-(Allyloxy)butane (CAS: 3739-64-8)?

1-(Allyloxy)butane (CAS: 3739-64-8) is a colorless liquid with a boiling point of 71.5°C and a melting point of -86.1°C. It has a molecular weight of 116.14 g/mol and is slightly soluble in water but miscible with many organic solvents. It is reactive towards nucleophiles and has limited reactivity with bases and acids. It exhibits good thermal stability under normal conditions.

How is 1-(Allyloxy)butane (CAS: 3739-64-8) typically synthesized?

1-(Allyloxy)butane (CAS: 3739-64-8) is typically synthesized through the allylation of butanol using an allyl halide in the presence of a base. The reaction involves the nucleophilic attack of the alcohol moiety of butanol on the allyl halide, followed by proton elimination to form the desired product. The reaction is often carried out in a polar aprotic solvent like THF with a base such as potassium tert-butoxide.

What industries use 1-(Allyloxy)butane (CAS: 3739-64-8)?

1-(Allyloxy)butane (CAS: 3739-64-8) is used in the pharmaceutical industry as a solvating agent for drug delivery systems and as a precursor in the synthesis of other compounds. It is also utilized in the polymer industry for the modification of polymer properties, and in sensor applications due to its reactivity and solubility characteristics.

What precautions should be taken when handling 1-(Allyloxy)butane (CAS: 3739-64-8)?

Precautions when handling 1-(Allyloxy)butane (CAS: 3739-64-8) include wearing protective gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its volatility. Spills should be cleaned up immediately using appropriate absorbents. In case of exposure, seek medical attention. Always refer to the Safety Data Sheet (SDS) for detailed safety information.