ChemicalBook > CAS DataBase List > Caprylic acid methyl ester

Caprylic acid methyl ester

CAS No.111-11-5
Chemical Name:Caprylic acid methyl ester
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
biological source synthetic
Viscosity 1.6mm2/s
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)
Substances Added to Food (formerly EAFUS) METHYL OCTANOATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII 7MO740X6QL
NIST Chemistry Reference Octanoic acid, methyl ester(111-11-5)
EPA Substance Registry System Methyl octanoate (111-11-5)
UNSPSC Code 85151701
NACRES NA.24

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

NFPA 704:

	2
0		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H227
Precautionary statements P280-P370+P378r-P403+P235-P501c

Caprylic acid methyl ester Price More Price(15)

Brand: Sigma-Aldrich(India)
Product number: W272809
Product name : Methyl octanoate
Purity: 99%, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W272809
Product name : Methyl octanoate
Purity: 99%, FG
Packaging: 1KG
Price: ₹8984.75
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W272809
Product name : Methyl octanoate
Purity: 99%, FG
Packaging: 9KG
Price: ₹63531.93
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: PHR3534
Product name : Methyl Octanoate
Purity: pharmaceutical secondary standard, certified reference material
Packaging: 1G
Price: ₹23241.28
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 8.14927
Product name : Methyl octanoate
Purity: for synthesis
Packaging: 25ML
Price: ₹4010
Updated: 2022/06/14
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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 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.
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/Al₂O₃catalyst.
- A component of biodiesel ?bioethanol surrogate fuel model to study its kinetics of oxidation.
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.
Preparation From coconut fatty acids by alcoholysis in the presence of gaseous HCl
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.]