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Ethyl nonanoate

Ethyl nonanoate structure

CAS No:
123-29-5
Formula:
C11H22O2
Chemical Name:
Ethyl nonanoate
Synonyms:
Nonanoic acid,ethyl ester;Ethyl nonanoate;Ethyl nonylate;Ethyl pelargonate;Wine ether;Pelargonic acid ethyl ester;Ethyl n-nonanoate;NSC 8901
Categories:
Cosmetic Ingredient > Perfuming

Description

Ethyl nonanoate is a rich ester in spirits and its presence is commonly related to the pleasant fruity bouquet of alcoholic beverages. Ethyl nonanoate is an endogenous metabolite[1].

Liquid|Colourless liquid with a fatty, fruity brandy-like odour

Ethyl nonanoate is a fatty acid ethyl ester of nonanoic acid. It has a role as a metabolite. It derives from a nonanoic acid.

Ethyl nonanoate Basic Attributes

Molecular Weight：

186.29

Exact Mass：

186.29

BRN：

1759169

EC Number：

204-615-7

UNII：

KSH683S98J

NSC Number：

8901

DSSTox ID：

DTXSID1047651

HScode：

29159080

Characteristics

PSA：

26.3

XLogP3：

Appearance：

Liquid

Density：

0.9±0.1 g/cm3

Melting Point：

-36.7 °C

Boiling Point：

227 °C

Flash Point：

202 °F

Refractive Index：

1.427

Water Solubility：

H2O: insoluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.08 mm Hg ( 25 °C)

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-R36/37/38

safety instructions：

26-36-S36-S26

RTECS Number：

RA6845000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures. May discolor on exposure to light. Hygroscopic: absorbs moisture or water from the air.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

Not Classified

Ethyl nonanoate Use and Manufacturing

Methods of Manufacturing

It is obtained by esterification of nonanoic acid and ethanol with a small amount of hydrochloric acid as a catalyst in toluene and then distillation.

Uses

Ethyl nonanoate has a grape flavor and is commonly used in the preparation of food flavors and spices for wine and whiskey sprinkling. It can also be used as a tone modifier for floral flavors.

Manufacturing Info：

Nonanoic acid, ethyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:186.29
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethanol

Downstream Products

Ethanol

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Guide of Ethyl nonanoate

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

Ethyl nonanoate

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