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(Z)-1-(1-Ethoxyethoxy)hex-3-en
FEMA 3775 · LEAF ACETAL · (Z)-leaf acetal · EINECS 248-817-3 · LEAF ALCOHOL ACETAL · CIS-3-HEXENAL ACETAL · (Z)-3-HexeneAcetaldehyde · cis-3-hexenylethylacetal
Identifikatoren & physikalische Daten
| CAS No. | 28069-74-1 |
|---|---|
| Summenformel | C10H20O2 |
| Durchschnittliche Molmasse | 172,26 g/mol |
| Monoisotopische Masse | 172,14632988 g/mol |
| SMILES | CC/C=C\CCOC(C)OCC |
| InChIKey | PAEBAEDUARAOSG-SREVYHEPSA-N |
| PubChem CID | 5366352 |
| ChEMBL | CHEMBL3185276 |
| EC No. | 248-817-3 |
| DTXSID | DTXSID4047418 |
| Lokaler Name | (Z)-1-(1-Ethoxyethoxy)hex-3-en |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 110 |
| Duftstoffe | Fragrance Ingredient (Acetaldehyde ethyl cis-3-hexenyl acetal) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.846-0.8560,86 g/cm3 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol) |
| Siedepunkt | 85 °C (7 mm Hg)198℃ |
| Brechungsindex | 1.430-1.435n20/D1.422 |
| Physical Description | colourless mobile liquid with a powerful, green, herbaceous odour |
| FEMA | 3775 | ACETALDEHYDE ETHYL CIS-3-HEXENYL ACETAL |
| Flammpunkt | 45℃ |
| Aggregatzustand | clear liquid |
| Farbe | A colourless liquid |
| Wichte | 0.855 |
| Geruch | at 10.00 % in dipropylene glycol. green violet natural green leaf mushroom earthy |
| Geruchsart | green |
| JECFA Number | 943 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 3.01 |
| CAS Datenbank | 28069-74-1(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)- (28069-74-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 71.2% (158 of 222) of all reports.WarningH226 (28.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 222 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-: Environment tier I assessment |
| Hazard Classes and Categories | Flam. Liq. 3 (28.8%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993C 3 / PGIII |
| Zollcode | 2912.19.5000 |
| RTECS-Nr. | MP6795000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1974). |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Occurrence
Reported found in guava fruit (Psidium guajava L.) and plum
Herstellung & Synthese
synthetische
From acetaldehyde diethyl acetal (acetal) with cis-3-hexenol