3-ethylpent-1-yn-3-ol

Basic Information

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CAS Number

6285-06-9

Molecular Formula

C7H12O

Molecular Weight

102.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

-32.2°C

Boiling Point

138°C

Density

0.872 g/mL at 20 °C

Water Solubility

Not miscible in water.

Refractive Index

1.439

SMILES

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CCC(CC)(C#C)O

InChI

InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3

InChIKey

FRDAATYAJDYRNW-UHFFFAOYSA-N

LogP

1.5574

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

103

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

AKOS009156385
Diaethyl-aethenyl-carbinol [German]
BRN 1740944
MFCD00014392
SCHEMBL235810
E0273
AS-30242
EN300-195695
3-Aethyl-pentin-(1)-ol-(3)
3-Aethyl-pentin-(1)-ol-(3) [German]
NS00043866
NSC-5588
3-Pentanol, 3-ethynyl-
NSC5588
Diaethyl-aethenyl-carbinol
3-hydroxy-3-ethyl-1-pentyne
FT-0615645
3-ethyl-pent-1-yn-3-ol
EINECS 228-512-1
(1-Ethyl-1-hydroxypropyl)acetylene
DTXSID30212018
d iethylethynylcarbinol
3-Ethyl-1-pentyn-3-ol
4-01-00-02254 (Beilstein Handbook Reference)
3-Ethylpent-1-yn-3-ol
NSC 5588
Diethylethynylcarbinol
AI3-23405
3-Ethyl-1-pentyn-3-ol, 98.0%
1-PENTYN-3-OL, 3-ETHYL-
6285-06-9

MDL Number

MFCD00014392

FAQ

What regulatory guidelines apply to 3-ethylpent-1-yn-3-ol (CAS: 6285-06-9)?

3-Ethylpent-1-yn-3-ol (CAS: 6285-06-9) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication labels and safety data sheets. It is also regulated under the European Union's Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation, which requires manufacturers and importers to register substances with the European Chemicals Agency (ECHA). Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its use and disposal in pharmaceutical and industrial applications.

Are there alternatives to 3-ethylpent-1-yn-3-ol (CAS: 6285-06-9) in synthesis?

Alternatives to 3-ethylpent-1-yn-3-ol (CAS: 6285-06-9) in synthesis can include similar alkenes and alkynes, such as 3-methylpent-1-yn-3-ol or 3-phenylpent-1-yn-3-ol, which can serve similar functional groups in organic reactions. Common alternative reagents might include Grignard reagents, organolithium compounds, or alkylation agents like alkyl halides or alkyl sulfonates.

What is the market or research trend for 3-ethylpent-1-yn-3-ol (CAS: 6285-06-9)?

The market and research for 3-ethylpent-1-yn-3-ol (CAS: 6285-06-9) are primarily driven by its use in organic synthesis as a precursor for the formation of various functional groups. Recent research trends focus on its potential in drug discovery and synthesis of bioactive compounds. Market trends indicate increasing demand in pharmaceutical and fine chemical industries due to its reactivity and versatility in chemical reactions.

How should waste containing 3-ethylpent-1-yn-3-ol (CAS: 6285-06-9) be handled?

Waste containing 3-ethylpent-1-yn-3-ol (CAS: 6285-06-9) should be collected in appropriate containers based on the volume and concentration of the waste. Incineration or professional waste disposal services are recommended for safe disposal. Ensure that all safety precautions are followed, including the use of personal protective equipment (PPE) and proper ventilation. Follow local and national regulations for hazardous waste disposal to prevent environmental contamination and ensure compliance with legal standards.