6-Methylheptyl acetate

Basic Information

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CAS Number

31565-19-2

Molecular Formula

C10H20O2

Molecular Weight

172.27 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 Physical Properties

Melting Point

-65.75°C (estimate)

Boiling Point

202.6°C (estimate)

Refractive Index

1.4063 (estimate)

SMILES

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CC(C)CCCCCOC(C)=O

InChI

InChI=1S/C10H20O2/c1-9(2)7-5-4-6-8-12-10(3)11/h9H,4-8H2,1-3H3

InChIKey

DICUPLXUNISGAQ-UHFFFAOYSA-N

LogP

2.765900000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

Isooctyl acetate
2-ethyl hexyl acetate
AC1L53J9
AC1Q672X
Acetic acid, isooctylester
CTK4G7364
Isooctanol, acetate
MolPort-006-149-130
Isooctanol,acetate (8CI)
Isooctyl alcohol, acetate (6CI,7CI)

MDL Number

MFCD00048384

FAQ

What regulatory guidelines apply to 6-Methylheptyl acetate (CAS: 31565-19-2)?

6-Methylheptyl acetate (CAS: 31565-19-2) falls under the scope of the GHS (Globally Harmonized System of Classification and Labeling of Chemicals) and is classified as flammable. It is also regulated under the EU REACH regulations, which require suppliers and manufacturers to register substances above a certain tonnage. Additionally, the FDA and EPA may have specific requirements for its use and disposal in the United States.

Are there alternatives to 6-Methylheptyl acetate (CAS: 31565-19-2) in synthesis?

Several alternatives can be used in the synthesis of scents and flavors where 6-Methylheptyl acetate (CAS: 31565-19-2) is employed. Common substitutes include other acetates such as heptyl acetate or isopropyl acetate. These alternatives may offer similar or different olfactory profiles and could be chosen based on cost, availability, and regulatory considerations.

What is the market or research trend for 6-Methylheptyl acetate (CAS: 31565-19-2)?

The market for 6-Methylheptyl acetate (CAS: 31565-19-2) is driven by its use in the fragrance and flavor industry. Research trends indicate a growing focus on sustainable sourcing and development of biodegradable alternatives. Additionally, there is increasing interest in personalized fragrances, which may boost demand for this compound due to its unique scent profile.

How should waste containing 6-Methylheptyl acetate (CAS: 31565-19-2) be handled?

Waste containing 6-Methylheptyl acetate (CAS: 31565-19-2) should be collected in appropriate containers and disposed of according to local regulations. It is advisable to incinerate the waste at a certified facility due to its flammability. Environmental protection precautions include ensuring no spillage during handling and proper labeling of waste containers. Additionally, professional waste disposal services should be utilized to ensure compliance with environmental regulations.