ChemicalBook > CAS DataBase List > Caprylic acid methyl ester

Caprylic acid methyl ester

Product Name
Caprylic acid methyl ester
CAS No.
111-11-5
Chemical Name
Caprylic acid methyl ester
Synonyms
METHYL OCTANOATE;METHYL CAPRYLATE;METHYL OCTYLATE;OCTANOIC ACID METHYL ESTER;FEMA 2728;uniphata20;Uniphat A20;Pastell M 08;Witconol 1095;Methyl octylat
CBNumber
CB9268272
Molecular Formula
C9H18O2
Formula Weight
158.24
MOL File
111-11-5.mol
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Caprylic acid methyl ester Property

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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H227Combustible liquid

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P403+P235Store in a well-ventilated place. Keep cool.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W272809
Product name
Methyl octanoate
Purity
99%, FG
Packaging
1kg
Price
$87.4
Updated
2024/03/01
Sigma-Aldrich
Product number
W272809
Product name
Methyl octanoate
Purity
99%, FG
Packaging
9kg
Price
$606
Updated
2024/03/01
Sigma-Aldrich
Product number
PHR3534
Product name
Methyl Octanoate
Purity
pharmaceutical secondary standard, certified reference material
Packaging
1G
Price
$259
Updated
2024/03/01
Sigma-Aldrich
Product number
8.14927
Product name
Methyl octanoate
Purity
for synthesis
Packaging
25mL
Price
$55.5
Updated
2024/03/01
Sigma-Aldrich
Product number
8.14927
Product name
Methyl octanoate
Purity
for synthesis
Packaging
100mL
Price
$149
Updated
2024/03/01
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Caprylic acid methyl ester Chemical Properties,Usage,Production

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 Preparation Products And Raw materials

Raw materials

Octanoic acid COCONUT OIL FATTY ACIDS

Preparation Products

3-OCTANOL
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View Lastest Price from Caprylic acid methyl ester manufacturers

Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
Caprylic acid methyl ester 111-11-5
Price
US $60.00/kg
Min. Order
1kg
Purity
99
Supply Ability
5000
Release date
2024-05-07
Hebei Chuanghai Biotechnology Co,.LTD
Product
Caprylic acid methyl ester 111-11-5
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2024-08-19
Hebei Kingfiner Technology Development Co.Ltd
Product
Caprylic acid methyl ester 111-11-5
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
50000kg
Release date
2024-05-24

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