1-Hexen-3-ol | CAS No. 4798-44-1

1-Hexen-3-ol

Basic Information

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CAS Number

4798-44-1

Molecular Formula

C6H12O

Molecular Weight

100.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

22.55°C (estimate)

Boiling Point

134°C

Refractive Index

n20/D 1.428(lit.)

SMILES

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CCCC(O)C=C

InChI

InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3

InChIKey

BVOSSZSHBZQJOI-UHFFFAOYSA-N

LogP

1.3334

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

50.1

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

hex-1-En-3-ol
n-Propyl vinyl carbinol
1-Hexen-3-ol
1-Hexen-2-ol
1-Hexene-3-ol
1-Vinylbutanol
3-Hydroxy-1-hexene
FEMA 3608
Hex-1-ene-3-ol
Propylvinylcarbinol
Hex-1-en-3-ol

MDL Number

MFCD00004581

FAQ

What regulatory guidelines apply to 1-Hexen-3-ol (CAS: 4798-44-1)?

1-Hexen-3-ol (CAS: 4798-44-1) is subject to regulations under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the EU, and FDA/EPA requirements. It must be labeled with appropriate hazard statements, signal words, and pictograms. Manufacturers must comply with REACH registration if the substance is manufactured or imported into the EU in quantities exceeding 1 ton per year. FDA and EPA regulations apply to its use in food and industrial applications, respectively.

Are there alternatives to 1-Hexen-3-ol (CAS: 4798-44-1) in synthesis?

There are several alternatives to 1-Hexen-3-ol in synthesis, including 1-Hexanol and 3-Hexanone. These compounds can serve similar roles in various reactions, such as esterification or as fragrance components. Other substitutes include isomers like 2-Hexanol and 3-Methylbutan-2-ol, which can be used in similar chemical processes.

What is the market or research trend for 1-Hexen-3-ol (CAS: 4798-44-1)?

The market for 1-Hexen-3-ol (CAS: 4798-44-1) is growing due to its use in fragrances, flavorings, and as a precursor in industrial chemicals. Research trends focus on its applications in natural product synthesis and as a sustainable alternative. Its demand is also linked to increasing consumer preference for natural fragrances. However, market trends may vary based on regional regulations and consumer preferences.

How should waste containing 1-Hexen-3-ol (CAS: 4798-44-1) be handled?

Waste containing 1-Hexen-3-ol (CAS: 4798-44-1) should be collected and stored in properly labeled containers, ensuring it is not mixed with incompatible substances. Waste disposal should be done through professional waste handlers who can manage hazardous waste safely. Incineration or professional waste disposal facilities should be used, following local environmental protection regulations. Precautions include ensuring workers are trained in handling hazardous waste and using appropriate personal protective equipment.