| Identification | More | [Name]
Ethyl caprylate | [CAS]
106-32-1 | [Synonyms]
CAPRYLIC ACID-ETHYL
CAPRYLIC ACID ETHYL ESTER
ETHYL CAPRYLATE
ETHYL N-CAPRYLATE
ETHYL N-OCTANOATE
ETHYL OCTANOATE
ETHYL OCTYLATE
FEMA 2449
N-CAPRYLIC ACID ETHYL ESTER
N-OCTANOIC ACID ETHYL ESTER
OCTANOIC ACID ETHYL ESTER
RARECHEM AL BI 0166
Ethyl octoate
Ethyl Octlate
ETHYL OCTANOATE 98+% FCC
ETHYL CAPRYLATE, 99+%
ETHYL OCTANOATE 98+% NATURAL FCC
ethyloctanoate,ethylcaprylate
CAPRYLIC ACID ETHYLESTER(SG)
Ethyloctanoat | [EINECS(EC#)]
203-385-5 | [Molecular Formula]
C10H20O2 | [MDL Number]
MFCD00009552 | [Molecular Weight]
172.26 | [MOL File]
106-32-1.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS LIQUID | [Melting point ]
-48--47 °C (lit.) | [Boiling point ]
206-208 °C (lit.) | [density ]
0.868 | [vapor pressure ]
0.02 mm Hg ( 25 °C)
| [FEMA ]
2449 | [refractive index ]
n20/D 1.417(lit.)
| [Fp ]
167 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
ethanol: soluble1ml/4ml, clear, colorless (70% ethanol) | [form ]
Liquid | [color ]
Clear colorless | [Odor]
at 100.00 %. fruity wine waxy sweet apricot banana brandy pear | [biological source]
synthetic | [explosive limit]
0.7%(V) | [Odor Type]
waxy | [Water Solubility ]
insoluble | [JECFA Number]
33 | [Merck ]
14,3778 | [BRN ]
1754470 | [Henry's Law Constant]
1.7×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004) | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3 | [InChIKey]
YYZUSRORWSJGET-UHFFFAOYSA-N | [SMILES]
CCCCCCCC(=O)OCC | [LogP]
4.47 at 22.7℃ | [CAS DataBase Reference]
106-32-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Octanoic acid, ethyl ester(106-32-1) | [EPA Substance Registry System]
106-32-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS09 | [Signal word ]
Warning | [Hazard statements ]
H411 | [Precautionary statements ]
P273-P391-P501 | [Hazard Codes ]
Xi | [Risk Statements ]
R38:Irritating to the skin. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
2
| [RTECS ]
RH0680000
| [Autoignition Temperature]
325 °C | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29159080 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Aquatic Chronic 2 | [Safety Profile]
Mddly toxic by
ingestion. A skin irritant. Combustible
liquid. When heated to decomposition it
emits acrid smoke and irritating fumes. See also ESTERS. | [Toxicity]
LD50 orally in rats: 25,960 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964) |
| Questions and Answers (Q&A) | Back Directory | [Description]
Ethyl caprylate (ethyl octanoate) is a kind of fatty acid ester formed from caprylic acid and ethanol. It is a kind of natural fruit flavoring agent. It is usually included in the alcohol beverage. Among the main flavoring components of None-flavor liquor, the absolute content of ethyl caprylate is not high but its flavoring contributions is higher than ethyl acetate, ethyl lactate, and ethyl butyrate, only lower than ethyl caproate. Only small amount of ethyl caprylate could produce obvious fruit aroma in Nong-flavor liquor. However, excessive content of ethyl caprylate would inhibit the performance of other flavoring components.
| [References]
Powers, John J. "HETEROGENEITY AND TEMPERATURE EFFECTS ON FLAVOR SENSING OF ETHYL CAPRYLATE." Journal of Food Science 42.1(2010):275-276.
Zhibin, L. I., and L. I. Jin. "Analysis of the Content of Ethyl Caprylate in Nong-flavor Liquor and Its Flavoring Contributions." Liquor-Making Science & Technology (2013).
|
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS LIQUID | [Chemical Properties]
Ethyl octanoate has a pleasant, fruity, floral odor (wine–apricot note) | [Chemical Properties]
Ethyl Octanoate is a liquid with a
fruity, floral odor. It occurs in many fruits and alcoholic beverages and is used in
fruit flavors. | [Occurrence]
Reported found in apple, apricot, orange juice, grapefruit juice, guava, pineapple, cheddar cheese, other cheeses,
butter, beer, cognac, rum, whiskey, cider, grape wines, cocoa, coconut meat, passion fruit, mango, pawpaw and mastic gum leaf oil. | [Uses]
Ethyl octanoate, found in Burgundy wine, was used to study its partition co-efficient in water in model wine using the headspace method. | [Uses]
Ethyl caprylate is a flavoring and fragrance agent. | [Uses]
manufacture of fruit ethers; constituent of enanthic, cocoic, and cognac ethers. | [Definition]
ChEBI: A fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol. | [Preparation]
Usually prepared by esterification of caprylic acid with ethyl alcohol and sulfuric acid as catalyst; also by alcoholysis of
coconut oil in the presence of HCl. | [Aroma threshold values]
Detection: 5 to 92 ppb | [Taste threshold values]
Taste characteristics at 5 ppm: waxy, fatty, aldehydic, coconut, creamy and dairy-like. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 89, p. 6804, 1967 DOI: 10.1021/ja01001a097
The Journal of Organic Chemistry, 42, p. 3209, 1977 DOI: 10.1021/jo00439a026 | [General Description]
Ethyl octanoate is a powerful odourant found in mead (a traditional drink that contains alcohol). | [Flammability and Explosibility]
Notclassified | [Carcinogenicity]
Not listed by ACGIH, California
Proposition 65, IARC, NTP, or OSHA. | [Metabolism]
Aliphatic esters including ethyl caprylate are thought to be readily hydrolysed to the corresponding alcohol and acid, which are then further metabolized (Fassett, 1963). Oral adminis tration of ethyl caprylate to rats produced a ketonuria twice as great as that from acetoacetate, indicating the formation of two fragments for the production of ketone bodies, and it was suggested that caprylic acid was probably broken down by a process involving multiple alternate oxidation (Deuel, Hallman, Butts & Murray, 1936). |
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