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Ethyl undecanoate

Ethyl undecanoate structure

CAS No:
627-90-7
Formula:
C13H26O2
Chemical Name:
Ethyl undecanoate
Synonyms:
Undecanoic acid,ethyl ester;Hendecanoic acid,ethyl ester;Ethyl undecylate;Ethyl undecanoate;NSC 97265
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

CLEAR COLOURLESS LIQUID Ethyl undecanoate has a coconut-like odor

Liquid|Colourless liquid with a wine-like, fatty/fruity, somewhat nutty odour

Ethyl undecanoate is a fatty acid ester.

Ethyl undecanoate Basic Attributes

Molecular Weight：

214.34

Exact Mass：

214.34

BRN：

1767805

EC Number：

211-018-5

UNII：

Q5223I1993

NSC Number：

97265

DSSTox ID：

DTXSID6060846

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

5.1

Appearance：

Liquid

Density：

0.9±0.1 g/cm3

Melting Point：

-15 °C

Boiling Point：

131 °C

Flash Point：

>230 °F

Refractive Index：

1.433

Water Solubility：

Soluble in ethanol and oils, insoluble in water

Storage Conditions：

2-8°C

Vapor Pressure：

0.00 mmHg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Ethyl undecanoate Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction of ethyl undecylenate and hydrogen in the presence of nickel at 180°C. It can also be obtained by the reflux esterification of n-undecanoic acid and ethanol.

Uses

Spices for food.

Manufacturing Info：

Undecanoic acid, ethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:214.34
XLogP3:5.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:214.193280068
Monoisotopic Mass:214.193280068
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl acrylate

Ethanol

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Guide of Ethyl undecanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Learn More Other Chemicals

Ethyl undecanoate

SDS

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