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
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)
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
N-Bromosuccinimide Price
- Product number
- W272809
- Product name
- Methyl octanoate
- Purity
- 99%, FG
- Packaging
- 1kg
- Price
- $87.4
- Updated
- 2024/03/01
- Product number
- W272809
- Product name
- Methyl octanoate
- Purity
- 99%, FG
- Packaging
- 9kg
- Price
- $606
- Updated
- 2024/03/01
- Product number
- 8.14927
- Product name
- Methyl octanoate
- Purity
- for synthesis
- Packaging
- 25mL
- Price
- $55.5
- Updated
- 2024/03/01
- Product number
- PHR3534
- Product name
- Methyl Octanoate
- Purity
- pharmaceutical secondary standard, certified reference material
- Packaging
- 1G
- Price
- $259
- Updated
- 2024/03/01
- Product number
- 8.14927
- Product name
- Methyl octanoate
- Purity
- for synthesis
- Packaging
- 100mL
- Price
- $149
- Updated
- 2024/03/01
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
Preparation Products
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View Lastest Price from Caprylic acid methyl ester manufacturers
- 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
- 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
- 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