| Identification | More | [Name]
Caprylic acid methyl ester | [CAS]
111-11-5 | [Synonyms]
C8:0 METHYL ESTER
CAPRYLIC ACID METHYL ESTER
CAPRYLLIC ACID METHYL ESTER
FEMA 2728
METHYL CAPRYLATE
METHYL N-OCTANOATE
METHYL 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
uniphata20
METHYL CAPRYLATE OEKANAL
CAPRYLIC ACID METHYL ESTER SIGMA GRADE
METHYL OCTANOATE 99%
METHYL CAPRYLATE, STANDARD FOR GC | [EINECS(EC#)]
203-835-0 | [Molecular Formula]
C9H18O2 | [MDL Number]
MFCD00009551 | [Molecular Weight]
158.24 | [MOL File]
111-11-5.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [Melting point ]
-40°C | [Boiling point ]
79 °C | [density ]
0.878 | [vapor pressure ]
1.33 hPa (34.2 °C) | [FEMA ]
2728 | [refractive index ]
n20/D 1.418
| [Fp ]
163 °F
| [storage temp. ]
−20°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 | [Uses]
Intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants,
plasticizers, flavoring. | [CAS DataBase Reference]
111-11-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Octanoic acid, methyl ester(111-11-5) | [EPA Substance Registry System]
111-11-5(EPA Substance) |
| Hazard Information | Back Directory | [General Description]
A colorless liquid. Flash point 130°F. Insoluble in water and about the same density as water. Used to make other chemicals. | [Reactivity Profile]
METHYL OCTANOATE(111-11-5) 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. | [Air & Water Reactions]
Insoluble in water. | [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. | [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. | [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) | [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 | [Flammability and Explosibility]
Nonflammable | [Purification Methods]
Pass the ester through alumina and distil it before use. [Beilstein 2 IV 986.] |
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