Octyl caprylate

HCID 61294CAS 2306-88-9
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Grundinformationen

Standard-SMILES
CCCCCCCCOC(=O)CCCCCCC
InChIKey
DJNTZVRUYMHBTD-UHFFFAOYSA-N
Summenformel
C16H32O2
Durchschnittliche Molmasse
256,42 g/mol
Monoisotopische Masse
256,24023026

Überblick

Octyl octanoate is a carboxylic ester.

Namen und Bezeichner

Bevorzugter Name
Octyl caprylate
IUPAC
octyl octanoate
Englischer Name
FEMA 2811
Summenformel
C16H32O2
Molmasse
256.42

Namen und Synonyme

Octyl octanoateOctyl caprylate2306-88-9Octanoic acid, octyl estern-Octyl caprylateFEMA No. 2811MM00XO86JQDTXSID3062318RefChem:167890DTXCID7036799218-980-5Octyl octylate
Weitere Namen anzeigen
Octyloctanoatn-Octyloctanoate1-Octanol octanoateOCTYL OCTANOATE 98+%octanoicacidoctylesterOctanoicacid,octylester
caprylyl caprylateFema 2811UNII-MM00XO86JQOCTANOIC ACID OCTYL ESTEREINECS 218-980-5NSC 23957AI3-31017EC 218-980-5

Datenbank-Bezeichner

CAS
2306-88-9
PubChem CID
61294
DTXSID
DTXSID3062318
ChEBI
CHEBI:174371
UNII
MM00XO86JQ
EC Number
218-980-5
Nikkaji
J115.088J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
14
Schwere Atome
18

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
CosmeticsCosmetic ingredients (Caprylyl Caprylate) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesDensity
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.8554
Flavoring AgentsEU Flavoring substances

Physikochemische Eigenschaften

Schmelzpunkt
18 °C · −18 °C(lit.)
Siedepunkt
307 °C · 307 °C(lit.)
Dichte
0.859 g/mL · 0.859 g/mL at 25 °C(lit.)
Dampfdruck
0.015 Pa · 0.015Pa at 20℃
FEMA
2811 · 2811 | OCTYL OCTANOATE
Brechungsindex
20 · n20/D 1.435(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (203 of 203) of all reports.

Not Classified

Aggregated GHS information provided per 203 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Octanoic acid, octyl ester

REACH registered substance: Octyl octanoate (EC: 218-980-5)

Octanoic acid, octyl ester: Does not have an individual approval but may be used under an appropriate group standard

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

Toxikologische Informationen

Toxicity Summary · 2 Einträge

The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.

Safe for use in cosmetics, with qualifications

Sicherheitsdaten

wgk
-
tsca
TSCA listed
Speicherklasse
10 - Combustible liquids

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

UsesCIR ingredient: Caprylyl Caprylate
Use Classification · 3 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationOctanoic acid, octyl ester: ACTIVE
Anwendungen · 2 Einträge

BeschreibungOctyl octanoate has a faint, fatty odor reminiscent of green tea with an oily, fruity, sweet, mildly green taste. May be prepared by esterification of octanoic acid with octyl alcohol in the presence of HCl catalyst; or by passing vapors of octanoic acid and hydrogen over a copper chromium oxide catalyst at high temperature (320°C).

VerwendenFEMA 2811 finds limited use in flavor compositions, mainly in Citrus complexes, Cherry, Grape, Pineapple, Plum and other fruit imitation flavors. The concentration is normally about 0.5 to 2 ppm in the finished product.

Darstellung

synthetischeBy esterification of octanoic acid with octyl alcohol in the presence of HCl catalyst; or by passing vapors of octanoic acid and hydrogen over a copper chromium oxide catalyst at high temperature (320°C).

Vor- und nachgelagerte Produkte

Anbieter44 Anbieter

合肥翰刚医药科技有限公司+8618062405514 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
Syntechem Co.,Ltd[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

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