Dihexyl sebacate

Basic Information

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CAS Number

2449-10-7

Molecular Formula

C22H42O4

Molecular Weight

370.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

0.85°C

Boiling Point

420.44°C (rough estimate)

Refractive Index

1.4433 (estimate)

SMILES

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CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC

InChI

InChI=1S/C22H42O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20-16-8-6-4-2/h3-20H2,1-2H3

InChIKey

GQIDSVPVVYHXAP-UHFFFAOYSA-N

LogP

6.354200000000008

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

296

Synonyms & References

English

Di-n-hexyl sebacate
AKOS037645061
AS-56717
EINECS 219-509-6
1,10-DIHEXYL DECANEDIOATE
GQIDSVPVVYHXAP-UHFFFAOYSA-N
2449-10-7
D93410
Dihexyl sebacate
DECANEDIOIC ACID DIHEXYL ESTER
Q63393553
DTXSID10179251
SCHEMBL305076
dihexyl decanedioate
NS00047726
Decanedioic acid, dihexyl ester
Decanedioic acid,1,10-dihexyl ester
dihexyl sebacate
Sebacic acid dihexyl ester

MDL Number

MFCD00368178

FAQ

What regulatory guidelines apply to Dihexyl sebacate (CAS: 2449-10-7)?

Dihexyl sebacate (CAS: 2449-10-7) falls under the classification of an ester and is subject to various regulatory guidelines including GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for safety data sheets and labeling. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) and must comply with the EU Classification, Labelling, and Packaging (CLP) regulations. Additionally, in the United States, it is covered by FDA and EPA regulations for its use in various applications such as plasticizers and lubricants.

Are there alternatives to Dihexyl sebacate (CAS: 2449-10-7) in synthesis?

Dihexyl sebacate (CAS: 2449-10-7) has several alternatives in synthesis, including other plasticizers such as dioctyl phthalate (DOP). These alternatives can be used based on specific application requirements, such as solubility, biodegradability, and cost. Isomers like diisodecyl sebacate (DIS) or other esters can also be considered depending on the desired properties and regulatory compliance.

What is the market or research trend for Dihexyl sebacate (CAS: 2449-10-7)?

The market for Dihexyl sebacate (CAS: 2449-10-7) is influenced by increasing demand in the polymer industry, particularly for plasticizing applications in polyvinyl chloride (PVC). Research trends are focusing on developing more sustainable and biodegradable alternatives. There is also a growing interest in understanding the environmental impact and safety of such compounds, which is driving the need for more eco-friendly solutions in the market.

How should waste containing Dihexyl sebacate (CAS: 2449-10-7) be handled?

Waste containing Dihexyl sebacate (CAS: 2449-10-7) should be collected in appropriate containers and stored in a secure, dry, and well-ventilated area. For disposal, it is recommended to use professional waste disposal services that comply with local and international regulations. Incineration is one of the common methods, but it must be done in an environmentally controlled incinerator. Environmental protection measures, such as proper labeling and documentation, are crucial to ensure compliance with regulatory requirements and to minimize environmental impact.