Caprylic acid methyl ester Chemical Properties

Melting point:

-40°C

Boiling point:

79 °C

Density 

0.878

vapor pressure 

1.33 hPa (34.2 °C)

FEMA 

2728 | METHYL OCTANOATE

refractive index 

n20/D 1.418

Flash point:

163 °F

storage temp. 

Store below +30°C.

solubility 

water: insoluble

form 

Liquid

color 

Clear colorless

Odor

at 100.00 %. waxy green sweet orange aldehydic vegetable herbal

Odor Type

waxy

Water Solubility 

Insoluble in water.

JECFA Number

173

BRN 

1752270

Dielectric constant

4.1299999999999999

LogP

3.37

CAS DataBase Reference

111-11-5(CAS DataBase Reference)

NIST Chemistry Reference

Octanoic acid, methyl ester(111-11-5)

EPA Substance Registry System

Methyl octanoate (111-11-5)

Safety Information

Hazard Codes 

Xi

Risk Statements 

38

Safety Statements 

24/25

WGK Germany 

1

RTECS 

RH0778000

TSCA 

Yes

HS Code 

29159080

Hazardous Substances Data

111-11-5(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: > 2000 mg/kg

MSDS

• Language:English Provider:Caprylic acid methyl ester
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Caprylic acid methyl ester Usage And Synthesis

Description

Methyl octanoate has a powerful, winey, fruity, and orange-like odor with an oily, somewhat orange taste. Prepared from coconut fatty acids by alcoholysis in the presence of gaseous HCL.

Description

Octanoic acid methyl ester is a fatty acid methyl ester that has been found in biodiesels made from the transesterification of beef tallow, soybean oil, and babassu oil blends. It is an aromatic volatile compound in cantaloupe, galia, and honeydew melons.

Chemical Properties

clear colorless liquid

Chemical Properties

Methyl octanoate has a powerful, winy, fruity and orange-like odor and an oily, somewhat orange taste.

Occurrence

Reported found in apples, apricot, orange juice, coconut, pineapple, pear, strawberry, citrus peel oils, grapes, papaya, blackberry, kohlrabi, peas, potato, tomato, clove bud, pepper, many cheeses, butter, hop oil, cognac, rum, cider, grape wines, black tea, durian (Durio zibethinus), olive, passion fruit, plum, plumcot, mushrooms, starfruit, fruit brandies, quince, soursop, wort, cherimoya, kiwifruit, mountain papaya, custard apple, nectarine, naranjilla, lamb’s lettuce, mussels, cape gooseberry, spineless monkey orange, pawpaw and rooibus tea (Aspalathus linearis)

Uses

Methyl octanoate can be used as:

• A reactant to prepare C₇ and C₈ hydrocarbons by catalytic decarboxylation/decarbonylation reactions in the presence of Pt/Al₂O₃ catalyst.
• A component of biodiesel ?bioethanol surrogate fuel model to study its kinetics of oxidation.

Uses

Intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants, plasticizers, flavoring.

Uses

Methyl octanoate-ethanol mixtures constitute the biodiesel-bioethanol surrogate fuel and kinetics of its oxidation has been studied experimentally in a jet-stirred reactor. Deoxygenation of methyl octanoate over alumina-supported Pt has been studied in both the vapor phase in a flow reactor and in the liquid phase in a semi-batch reactor. It is also used to make other chemicals.

Preparation

From coconut fatty acids by alcoholysis in the presence of gaseous HCl

Definition

ChEBI: A fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol.

Aroma threshold values

Detection: 200 to 870 ppb

Taste threshold values

Detection: 200 to 870 ppb

Synthesis Reference(s)

The Journal of Organic Chemistry, 50, p. 560, 1985 DOI: 10.1021/jo00205a004
Tetrahedron, 36, p. 1311, 1980 DOI: 10.1016/0040-4020(80)85042-3
Tetrahedron Letters, 25, p. 4417, 1984 DOI: 10.1016/S0040-4039(01)81454-4

General Description

A colorless liquid. Flash point 130°F. Insoluble in water and about the same density as water. Used to make other chemicals.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Caprylic acid methyl ester is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Health Hazard

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Flammability and Explosibility

Non flammable

Purification Methods

Pass the ester through alumina and distil it before use. [Beilstein 2 IV 986.]

Caprylic acid methyl ester(111-11-5)Related Product Information

• Cholesteryl caprylate
• PROPYL CAPRYLATE
• Sodium octanoate
• Ethyl caprylate
• Rhodium(II) octanoate dimer
• FEMA 2080
• BUTYL CAPRYLATE
• FEMA 2079
• FEMA 2575
• Valine, ethyl ester
• DIETHYL 1-OCTYLPHOSPHONATE
• di-tert-butyl octane-1,8-diyldicarbamate
• VINYL N-OCTANOATE
• Octanoic acid
• Stannous octoate
• 2-(4-Methyl-5-thiazolyl)ethyl octanoate
• Reserpine
• Yohimbine
• Methyl Caprylate
• Octanoic Acid Methyl Ester