| Identification | More | [Name]
ETHYL UNDECANOATE | [CAS]
627-90-7 | [Synonyms]
ETHYL N-UNDECANOATE
ETHYL UNDECANOATE
FEMA 3492
HENDECANOIC ACID ETHYL ESTER
N-UNDECANOIC ACID ETHYL ESTER
RARECHEM AL BI 0156
UNDECANOIC ACID ETHYL ESTER
Ethyl undecylate
UNDECANOIC ACID ETHYL ESTER GR I
CIS-3-HEXENYL BUTYRATE 98+%
N-UNDECANOIC ACID ETHYL ESTER 98+%
ETHYL UNDECANOATE, NATURAL | [EINECS(EC#)]
211-018-5 | [Molecular Formula]
C13H26O2 | [MDL Number]
MFCD00008958 | [Molecular Weight]
214.34 | [MOL File]
627-90-7.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS LIQUID | [Melting point ]
-15 °C | [Boiling point ]
105 °C/4 mmHg (lit.) | [density ]
0.859 g/mL at 25 °C(lit.)
| [FEMA ]
3492 | [refractive index ]
n20/D 1.428(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
2-8°C
| [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Odor]
at 100.00 %. soapy waxy fatty cognac coconut | [biological source]
synthetic | [Odor Type]
soapy | [JECFA Number]
36 | [BRN ]
1767805 | [Dielectric constant]
3.5499999999999998 | [Major Application]
flavors and fragrances | [InChI]
1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3 | [InChIKey]
IAFQYUQIAOWKSB-UHFFFAOYSA-N | [SMILES]
CCCCCCCCCCC(=O)OCC | [LogP]
5.49 | [CAS DataBase Reference]
627-90-7(CAS DataBase Reference) | [EPA Substance Registry System]
Undecanoic acid, ethyl ester (627-90-7) |
| Safety Data | Back Directory | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29159000 | [Storage Class]
12 - Non Combustible Liquids |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS LIQUID | [Chemical Properties]
Ethyl undecanoate has a coconut-like odor | [Occurrence]
Reported found in apple, butter, grape, brandy, wheat bread, rum, whiskey, wine, cognac, butter, plum brandy
and sake. | [Uses]
Ethyl undecanoate was used to prepare the corresponding aldehyde in the presence of Lithium diisobutyl-t-butoxyaluminum hydride (LDBBA). | [Definition]
ChEBI: Ethyl undecanoate is a fatty acid ester. | [Preparation]
By reduction of the l-undecen-ll-oic acid ethyl ester with hydrogen in the presence of Ni at 180°C; or by direct esterification of n-undecanoic acid with ethyl alcohol under reflux. | [Aroma threshold values]
Aroma characteristics at 1.0%: rum-like, estry, fatty and waxy, soapy with creamy nuances. | [Taste threshold values]
Taste characteristics at 15 ppm: cheesy, buttery, creamy, rum and cognac-like, with fruity apple and banana
nuances. Taste characteristics at 25 ppm: waxy, creamy, slight fruity with coconut and cherry nuance. | [Synthesis Reference(s)]
Tetrahedron Letters, 30, p. 689, 1989 DOI: 10.1016/S0040-4039(01)80283-5
Chemical and Pharmaceutical Bulletin, 43, p. 2075, 1995 DOI: 10.1248/cpb.43.2075 | [General Description]
Ethyl undecanoate is a volatile fatty acid ethyl ester (FAEE) commonly found in alcoholic beverages. It is also reported to occur in fermented wheat germ extract. |
|
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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Energy Chemical
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Jia Xing Isenchem Co.,Ltd
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Sigma-Aldrich
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https://www.sigmaaldrich.cn |
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