ChemicalBook >> CAS DataBase List >>Caprylic acid methyl ester

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
Molecular Weight:
158.24
MDL Number:
MFCD00009551
MOL File:
111-11-5.mol
MSDS File:
SDS
Last updated:2024-11-19 23:02:33

Caprylic acid methyl ester 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
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)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H227
Precautionary statements  P280-P370+P378r-P403+P235-P501c
Hazard Codes  Xi
Risk Statements  38
Safety Statements  24/25
WGK Germany  1
RTECS  RH0778000
TSCA  Yes
HS Code  29159080
Toxicity LD50 orally in Rabbit: > 2000 mg/kg
NFPA 704
2
0 0

Caprylic acid methyl ester price More Price(32)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich W272809 Methyl octanoate 99%, FG 111-11-5 1kg $87.4 2024-03-01 Buy
Sigma-Aldrich W272809 Methyl octanoate 99%, FG 111-11-5 9kg $606 2024-03-01 Buy
Sigma-Aldrich PHR3534 Methyl Octanoate pharmaceutical secondary standard, certified reference material 111-11-5 1G $259 2024-03-01 Buy
Sigma-Aldrich 8.14927 Methyl octanoate for synthesis 111-11-5 25mL $55.5 2024-03-01 Buy
Sigma-Aldrich 8.14927 Methyl octanoate for synthesis 111-11-5 100mL $149 2024-03-01 Buy
Product number Packaging Price Buy
W272809 1kg $87.4 Buy
W272809 9kg $606 Buy
PHR3534 1G $259 Buy
8.14927 25mL $55.5 Buy
8.14927 100mL $149 Buy

Caprylic acid methyl ester Chemical Properties,Uses,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/Al2O3 catalyst.
  • 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.]

67-56-1
538-23-8
111-11-5
56-81-5
Synthesis of Caprylic acid methyl ester from Methanol and TRIOCTANOIN
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TOKYO CHEMICAL INDUSTRY CO., LTD.
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View Lastest Price from Caprylic acid methyl ester manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Caprylic acid methyl ester pictures 2024-11-22 Caprylic acid methyl ester
111-11-5
US $60.00 / kg 1kg 99 5000 Hebei Zhuanglai Chemical Trading Co.,Ltd
Methyl octanoate pictures 2024-11-19 Methyl octanoate
111-11-5
US $40.00 / mg 99.75% 10g TargetMol Chemicals Inc.
Caprylic acid methyl ester pictures 2024-10-11 Caprylic acid methyl ester
111-11-5
US $5.00-2.00 / KG 1KG 99% 10000kg Hebei Chuanghai Biotechnology Co,.LTD
Methyl n-Octanoate Methyl n-Octanoate [Standard Material for GC] METHYL OCTANOATE FOR SYNTHESIS METHYL OCTANOATE REFERENCE SUBSTANCE FOR Methyl octanoate (C8:0) Methyl octanoate (C8:0) Solution Methyl ester of octanoic acid methylesteroctanoicacid Uniphat A20 uniphata20 CAPRYLIC ACID METHYL ESTER CAPRYLLIC ACID METHYL ESTER C8:0 METHYL ESTER METHYL N-OCTANOATE METHYL CAPRYLATE OEKANAL CAPRYLIC ACID METHYL ESTER SIGMA GRADE METHYL OCTANOATE 99% METHYL CAPRYLATE, STANDARD FOR GC Caprylicacidmethylester=Methyloctanoate Oktansyre, methylester CAPRYLIC ACID METHYLESTER(SG) CAPRYLIC ACID METHYLESTER WITH GC Methyl n-Octanoate [Standard Material] METHYL CAPRYLATE, NATURAL Caprylic acid methyl ester, Methyl caprylate Methyl octanoate (Methyl caprylate) Methyl octanoate >=98.0% Methyl n-Octanoate [Standard Material for GC] Methyl octanoate,Caprylic acid methyl ester, Methyl caprylate Methyl octanoate 5g [111-11-5] Methyl Caprylate (300 mg) Methyl Caprylate (300 mg)G0D0641.00mg/mg(ai) Methyl octanoate, 99% 25GR Pastell M 08 Witconol 1095 Caprylic acid methyl Octanoic acid methyl Methyl n-Caprylate Methyl octanoate,99% RARECHEM AL BF 0166 N-OCTANOIC ACID METHYL ESTER N-CAPRYLIC ACID METHYL ESTER Methyl octanoate, 99.5% Natural Methyl Caprylate Natural Methyl Octanoate Methyln-Octanoate> Methyl octanoate@10.0 mg/mL in Hexane Methyln-Octanoate[StandardMaterialforGC]> Caprylic acid methyl ester USP/EP/BP Methyl octanoate(kosher) Methyl caprylate(C8:0) FEMA 2728 METHYL OCTYLATE METHYL OCTANOATE METHYL CAPRYLATE OCTANOIC ACID METHYL ESTER Methyl octylat Sodium caprylate EP Impurity F