Ethylnonanoat

Ethyl Nonanoate

HCID 31251CAS 123-29-5
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Grundinformationen

Standard-SMILES
CCCCCCCCC(=O)OCC
InChIKey
BYEVBITUADOIGY-UHFFFAOYSA-N
Summenformel
C11H22O2
Durchschnittliche Molmasse
186,29 g/mol
Monoisotopische Masse
186,16197994

Überblick

Ethyl nonanoate is a fatty acid ethyl ester of nonanoic acid. It has a role as a metabolite. It is functionally related to a nonanoic acid.

Namen und Bezeichner

Bevorzugter Name
Ethyl Nonanoate
IUPAC
ethyl nonanoate
Lokaler Name
Ethylnonanoat
Englischer Name
Ethyl nonanoate
Summenformel
C11H22O2
Molmasse
186.29

Namen und Synonyme

ETHYL NONANOATE123-29-5Ethyl pelargonateNonanoic acid, ethyl esterWine etherPelargonic Acid Ethyl EsterFEMA No. 2447DTXSID1047651KSH683S98JNSC-8901DTXCID9027651CHEBI:87501
Weitere Namen anzeigen
FEMA 2447wineetherETHYL NONATEEthylnonanoatEthyl nonoate
RefChem:139019204-615-7Nonanoic acid ethyl esterEthyl nonylateEthyl n-nonanoateNonanoic acid-ethyl esterMFCD00009570Ethyl nonanoate (natural)

Datenbank-Bezeichner

CAS
123-29-5
PubChem CID
31251
DTXSID
DTXSID1047651
ChEMBL
CHEMBL3187336
ChEBI
CHEBI:87501
UNII
KSH683S98J
EC Number
204-615-7
Nikkaji
J5.539E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
9
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Cosmetics · 2 Einträge

Cosmetic ingredients (Ethyl Pelargonate) -> CIR (Cosmetic Ingredient Review)

Emollient

SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (Ethyl nonanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.863-0.867

Physikochemische Eigenschaften

Schmelzpunkt
-44 °C · -44°C
Siedepunkt
119 °C/23 · 119 °C/23 mmHg (lit.)
Dichte
0.866 g/mL · 0.866 g/mL at 25 °C (lit.)
Dampfdruck
0.08 mm · 0.08 mm Hg ( 25 °C)
Brechungsindex
20 · n20/D 1.422(lit.)
FEMA
2447 · 2447 | ETHYL NONANOATE

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 97.4% (1636 of 1680) of all reports.

Not Classified

Aggregated GHS information provided per 1680 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Nonanoic acid, ethyl ester

Ethyl nonanoate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Nonanoic acid, ethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified

Toxikologische Informationen

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29159080
RTECS-Nr.
RA6845000
risk_code
36/37/38-R36/37/38
Toxizität
LD50 orally in rats: >43,000 mg/kg (Jenner)

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

UsesCIR ingredient: Ethyl Pelargonate
Use Classification · 6 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Cosmetics -> Emollient

General Manufacturing InformationNonanoic acid, ethyl ester: ACTIVE
Anwendungen · 2 Einträge

OccurrenceReported found in pineapple, banana, plum, apple, Parmesan cheese, milk, beer, cognac, rum, whiskey, grape wines, plum and pear brandy, wheaten bread, beef and corn oil, grape, plum and elderberry.

VerwendenEthyl Nonanoate is a synthetic flavoring agent that is a stable, col- orless liquid of fruit cognac odor. it is practically insoluble in water and is miscible with alcohol and propylene glycol. it should be stored in glass or tin containers. it is used in flavors such as apple, pear, and cognac with applications in beverages, ice cream, candy, and alcohol beverages at 4–20 ppm.

Darstellung

synthetischeBy distillation of pelargonic acid and ethyl alcohol in toluene in the presence of small amounts of muriatic acid (HCl); also by hydrogenation of oenanthylidene acetate in the presence of Ni at 180°C.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A fatty acid ethyl ester of nonanoic acid.

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