3-Heptanol | CAS No. 589-82-2

3-Heptanol

Basic Information

View in Editor

CAS Number

589-82-2

Molecular Formula

C7H16O

Molecular Weight

116.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-70°C

Boiling Point

66 °C/20 mmHg

Refractive Index

n20/D 1.421(lit.)

SMILES

View in Editor

CCCCC(O)CC

InChI

InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3

InChIKey

RZKSECIXORKHQS-UHFFFAOYSA-N

LogP

1.9475

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

43.7

Safety Information

View Safety Information

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 3 Class 3

Synonyms & References

English

Heptan-3-ol
3-Heptanol
3-Heptyl Alcohol
(±)-3-Heptanol
1-Ethyl-1-pentanol
3-Hydroxyheptane
3-Hydroxy-n-heptane
CH3(CH2)3CHOHCH2CH3
DL-3-Heptanol
Ethylbutylcarbinol
Ethyl-n-butylcarbinol
Heptanol-3
n-Butylethylcarbinol
n-Heptan-3-ol
NSC 2586
Butylethylcarbinol

MDL Number

MFCD00004586

FAQ

What regulatory guidelines apply to 3-Heptanol (CAS: 589-82-2)?

3-Heptanol (CAS: 589-82-2) requires adherence to various regulatory guidelines. Under the GHS system, it is classified as flammable liquid category 3. In the EU, it must comply with REACH regulations, which include reporting on substances of very high concern. The FDA may require specific documentation for its use in pharmaceutical applications. EPA regulations govern its disposal to ensure environmental safety.

Are there alternatives to 3-Heptanol (CAS: 589-82-2) in synthesis?

There are several alternatives to 3-Heptanol (CAS: 589-82-2) in synthesis, such as 2-heptanol or 4-heptanol, which can offer similar chemical properties. Common alternative reagents include isopropanol or ethanol, which are readily available and can be used in various synthetic pathways depending on the specific application.

What is the market or research trend for 3-Heptanol (CAS: 589-82-2)?

The market for 3-Heptanol (CAS: 589-82-2) shows steady growth due to its use in cosmetic and pharmaceutical products. Research trends are focusing on its potential in biodegradable surfactants and as a bio-based alternative to petroleum-derived chemicals. Market demand is also influenced by sustainability initiatives, driving the exploration of renewable and eco-friendly sources.

How should waste containing 3-Heptanol (CAS: 589-82-2) be handled?

Waste containing 3-Heptanol (CAS: 589-82-2) should be collected in appropriate containers and stored in a well-ventilated area away from sources of ignition. For disposal, it is recommended to use professional waste disposal services that comply with local regulations. Incineration is another method, but it must be done in a controlled environment to prevent pollution. Always ensure to follow environmental protection precautions to minimize the impact on the environment.