1,4-Dioxacycloheptadecane-5,17-dione

Basic Information

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CAS Number

105-95-3

Molecular Formula

C15H26O4

Molecular Weight

270.37 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

142°C/1mmHg

Flash Point

200 ºF

Refractive Index

n20/D 1.47(lit.)

SMILES

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C1CCCCCC(=O)OCCOC(=O)CCCCC1

InChI

InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2

InChIKey

XRHCAGNSDHCHFJ-UHFFFAOYSA-N

LogP

3.377500000000002

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

237

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

1,4-Dioxacycloheptadecane-5,17-dione
Ethylene Bassylate
Ethylene tridecanedioate
Musk-T
ethylene undecane dicarboxylate
2,2-Dimethyl-3-(4-ethylphenyl)propanal
Ethylene brassylate
Ethylene Glycol Brassylate
Brassylic Acid Ethylene Ester
Mc-5
muskt
MUSK NN
Nsc46155
Astratone
FEMA 3543
Astrofone
Benzylone
Musk T
Ethylene Tridecanedioate
Ethylene undecane dicarboxylate

MDL Number

MFCD00046977

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3)?

1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3) is a colorless solid with a crystalline form. It has a molecular weight of approximately 266.31 g/mol. This compound is poorly soluble in water but soluble in common organic solvents like ethanol and acetone. It is a cyclic ketone and exhibits moderate reactivity, particularly with nucleophiles. It is non-toxic but can irritate the skin and eyes; proper handling and appropriate personal protective equipment are recommended.

How is 1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3) typically synthesized?

1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3) is typically synthesized through the cyclization of 1,7-dihydroxyheptane in the presence of a strong acid catalyst. The reaction involves dehydration and subsequent condensation to form the dione. The yield is usually around 70-80%, and the process is selective, producing the desired cyclic compound with good purity. Detailed conditions and reactions can be found in organic chemistry literature.

What industries use 1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3)?

1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3) is used in a variety of industries. It serves as a precursor in the pharmaceutical sector for the synthesis of certain biologically active compounds. In the polymer industry, it can be used in the development of novel materials. Additionally, it is utilized in the semiconductor industry for specific applications due to its chemical properties, and it has potential applications in sensor technology and other advanced materials.

What precautions should be taken when handling 1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3)?

When handling 1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3), it is important to wear appropriate personal protective equipment (PPE), such as gloves, safety goggles, and a lab coat. Handling should be done in a well-ventilated area, and the use of a fume hood is recommended to minimize exposure. In case of a spill, it should be handled carefully, and appropriate safety measures should be followed. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and guidelines.