Methyl octanoate

Basic Information

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CAS Number

111-11-5

Molecular Formula

C9H18O2

Molecular Weight

158.24 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

-40°C

Boiling Point

193°C

Water Solubility

Insoluble in water.

Solubility

water: insoluble

Refractive Index

n20/D 1.417(lit.)

Vapor Pressure

0.5±0.4 mmHg at 25°C

SMILES

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CCCCCCCC(=O)OC

InChI

InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

InChIKey

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

LogP

2.5199000000000007

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

99.7

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

Methyl octanoate
C8:0 METHYL ESTER
CAPRYLIC ACID METHYL ESTER
CAPRYLLIC ACID METHYL ESTER
FEMA 2728
METHYL N-OCTANOATE
METHYL OCTYLATE
N-CAPRYLIC ACID METHYL ESTER
N-OCTANOIC ACID METHYL ESTER
OCTANOIC ACID METHYL ESTER
RARECHEM AL BF 0166
Methyl ester of octanoic acid
methylesteroctanoicacid
Uniphat A20
METHYL CAPRYLATE OEKANAL
METHYL CAPRYLATE, STANDARD FOR GC
Methyl n-Octanoate [Standard Material for GC]
AOCS Animal & Vegetable Reference Mix 5
CAPRYLIC ACID METHYLESTER(AS)
Fatty Acid Methyl Ester Profiling Mix C
Fatty Acid Methyl Ester Profiling Mix E
Methyl Esters in Palm Kernel Oil
Methyl octanoate(Methyl caprylate)
caprylic acid chloride
caprylic chloride
caprylic diester
capryloyl chloride
Caprylyl chlorid
CAPRYLYL CHLORIDE
Methyl Caprylate
methyl enanthate

MDL Number

MFCD00009551

Customs Code

29159080

FAQ

What is Methyl octanoate (CAS: 111-11-5)?

Methyl octanoate is an ester with the chemical formula C9H18O2. It is a colorless liquid with a fruity odor, commonly used in fragrance and flavor industries. It is soluble in organic solvents and has a relatively high boiling point. This compound is derived from octanoic acid and methanol through esterification.

What are the main uses of Methyl octanoate (CAS: 111-11-5)?

Methyl octanoate is primarily used as a fragrance ingredient in perfumes, cosmetics, and food products. It also finds applications in the pharmaceutical industry as a flavoring agent and in research for studying ester properties. Its use extends to industrial applications such as solvent and coating formulations.

Is Methyl octanoate (CAS: 111-11-5) safe?

Methyl octanoate is generally considered safe when used properly, but it should be handled with care. It is not classified as toxic, but prolonged exposure may cause skin irritation. Safety standards recommend using appropriate protective equipment, such as gloves and goggles, and ensuring proper ventilation during handling.

How should Methyl octanoate (CAS: 111-11-5) be stored?

Methyl octanoate should be stored in a cool, dry, and well-ventilated place, away from direct sunlight. It is best kept in a sealed container made of glass or stainless steel to prevent contamination. Maintaining a temperature between 15°C to 25℃ and avoiding high humidity ensures its stability and prolongs shelf life.