7-Methyloctyl 7-methyloctanoate

Basic Information

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CAS Number

42131-25-9

Molecular Formula

C18H36O2

Molecular Weight

284.48 g/mol

EINECS

203-726-8

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

Basic Physical Properties

SMILES

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CC(C)CCCCCCOC(=O)CCCCCC(C)C

InChI

InChI=1S/C18H36O2/c1-16(2)12-8-5-6-11-15-20-18(19)14-10-7-9-13-17(3)4/h16-17H,5-15H2,1-4H3

InChIKey

LHWUVOILCRBENG-UHFFFAOYSA-N

LogP

5.742600000000007

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

Isononanoic acid, isononyl ester
7-methyloctyl 7-methyloctanoate
yirengsuanyiwuzhi
Isononyl Isononyl ester
Isononanoicacid， isononyl ester (9CI)
Isoranyl isonanoate
Isoxanoate
Isononanoicacid, isononyl ester (9CI)
ISONONYL ISONONANOATE
Dermol99
Hatcol 5131
KAK 99
Lanol 99
Salacos 99

MDL Number

MFCD22494895

EC Number

203-726-8

FAQ

What is 7-Methyloctyl 7-methyloctanoate (CAS: 42131-25-9)?

7-Methyloctyl 7-methyloctanoate is an ester compound with the chemical formula C16H32O2. It is characterized by its clear or slightly yellow liquid appearance and is used in various applications due to its pleasant odor and stability.

What are the main uses of 7-Methyloctyl 7-methyloctanoate (CAS: 42131-25-9)?

7-Methyloctyl 7-methyloctanoate is primarily used as a fragrance and flavoring agent in the perfume and food industries. It is also utilized in pharmaceuticals for topical applications and in research for its chemical properties.

Is 7-Methyloctyl 7-methyloctanoate (CAS: 42131-25-9) safe?

7-Methyloctyl 7-methyloctanoate is generally considered safe for use in the food, fragrance, and pharmaceutical industries. However, users should handle it with appropriate personal protective equipment, such as gloves and goggles, to avoid skin and eye contact.

How should 7-Methyloctyl 7-methyloctanoate (CAS: 42131-25-9) be stored?

7-Methyloctyl 7-methyloctanoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in sealed containers to prevent degradation. Ideal storage conditions are between 15°C to 25°C (59°F to 77°F) and below 60% relative humidity.