3-Octen-2-ol | CAS No. 76649-14-4

3-Octen-2-ol

Basic Information

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CAS Number

76649-14-4

Molecular Formula

C8H16O

Molecular Weight

128.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-31.5°C (estimate)

Boiling Point

98°C 2mm

Density

0,84 g/cm3

Flash Point

71°C

Refractive Index

1.4400

SMILES

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CCCCC=CC(C)O

InChI

InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3

InChIKey

YJJIVDCKSZMHGZ-UHFFFAOYSA-N

LogP

2.1136000000000004

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

76.6

Synonyms & References

English

UNII-0347391ZTJ
57648-55-2
(+/-)-3-OCTEN-2-OL, (3E)-
NS00126935
3-Octen-2-ol, (E)-
0347391ZTJ
(E)-3-Octen-2-ol
NSC 244893
CHEBI:168329
Q27259150
NSC245471
NSC245472
MFCD00036565
NSC 245472
3-Octen-2-ol, (3E)-
NSC244893
3-OCTEN-2-OL [FHFI]
NSC-245472
(3E)-3-Octen-2-ol
NSC-244893
(E)-oct-3-en-2-ol
3-Octen-2-ol, trans-
48L416E22Q
NSC-245471
Octen-2-ol, AldrichCPR
76649-14-4
SCHEMBL808522
trans-3-Octen-2-ol
UNII-48L416E22Q
(3E)-oct-3-en-2-ol
CS-0453876

FAQ

What regulatory guidelines apply to 3-Octen-2-ol (CAS: 76649-14-4)?

3-Octen-2-ol (CAS: 76649-14-4) is classified by the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as flammable and potentially harmful to aquatic environments. In the European Union, it falls under REACH regulations. The U.S. FDA and EPA may also have specific requirements regarding its handling and discharge. Proper labeling and documentation are essential to comply with these regulations.

Are there alternatives to 3-Octen-2-ol (CAS: 76649-14-4) in synthesis?

Yes, there are alternatives to 3-Octen-2-ol (CAS: 76649-14-4) in synthesis, such as other alcohols like 3-hexen-2-ol or 3-octanol. Common alternatives include using isomers or analogs like 2-Octanone or 2-Methylbutan-2-ol, which may offer similar functionalities but with different structures. These alternatives can be chosen based on the specific requirements of the synthesis process.

What is the market or research trend for 3-Octen-2-ol (CAS: 76649-14-4)?

The market for 3-Octen-2-ol (CAS: 76649-14-4) is influenced by its use in fragrances, flavorings, and as a raw material in the chemical industry. Research trends include exploring its applications in biotechnology and bioremediation due to its potential bioactivity. Market trends show a steady demand, with price fluctuations driven by supply and demand dynamics in the fragrance and flavor industries.

How should waste containing 3-Octen-2-ol (CAS: 76649-14-4) be handled?

Waste containing 3-Octen-2-ol (CAS: 76649-14-4) should be collected in appropriate containers, ensuring it is labeled as flammable and potentially harmful. Incineration is a common method for disposal, but it should be conducted in compliance with local regulations. Professional waste disposal services can also be utilized. Environmental precautions include monitoring for any negative impacts on water bodies, and proper documentation of waste management practices should be maintained.