Ethylphenoxyacetat

Acetic acid, 2-phenoxy-, ethyl ester

HCID 17365CAS 2555-49-9

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Grundinformationen

Standard-SMILES: CCOC(=O)COc1ccccc1
InChIKey: MGZFVSUXQXCEHM-UHFFFAOYSA-N
Summenformel: C10H12O3
Durchschnittliche Molmasse: 180,2 g/mol
Monoisotopische Masse: 180,07864424

Namen und Bezeichner

Bevorzugter Name: Acetic acid, 2-phenoxy-, ethyl ester
IUPAC: ethyl 2-phenoxyacetate
Lokaler Name: Ethylphenoxyacetat
Englischer Name: Ethyl phenoxyacetate
Summenformel: C10H12O3
Molmasse: 180.2

Namen und Synonyme

ETHYL PHENOXYACETATEethyl 2-phenoxyacetate2555-49-9Acetic acid, phenoxy-, ethyl esterEINECS 219-867-3DTXSID3062520Acetic acid, 2-phenoxy-, ethyl esterAI3-04110RefChem:552176DTXCID9037329219-867-3Phenoxyacetic Acid Ethyl Ester

Weitere Namen anzeigen

2-phenoxybutanoateEthylPhenoxyacetate>Ethylphenoxyacetate,98%ETHYL-(2-PHENOXYACETAT)Ethyl phenoxyacetate 98%phenoxy-aceticaciethylester

MFCD00026895SCHEMBL377638Phenoxy-acetic acid ethyl esterAS-57728SY017862Phenoxyacetic acid, ethyl esterFT-0626232FT-0626233

Datenbank-Bezeichner

CAS: 2555-49-9
PubChem CID: 17365
DTXSID: DTXSID3062520
EC Number: 219-867-3
Nikkaji: J141.456I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 13
Formalladung: 0
Komplexität: 150

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

FragrancesFragrance Ingredient (Ethyl phenoxyacetate) -> IFRA transparency List

Physikochemische Eigenschaften

Siedepunkt: 136 °C/19 · 136 °C/19 mmHg (lit.)
Dichte: 1.1 g/mL · 1.1 g/mL at 25 °C (lit.)
Brechungsindex: 1.5045 · 1.5045-1.5065
Flammpunkt: 110 °C · >110°C
storage temp.: Store at room temperature
Aggregatzustand: Liquid
Wichte: 1.1 · 1.100
Farbe: Clear yellow
Geruch (Odor): 100 % · at 100.00 %. green floral rose
Geruchsart: floral
Wasserlöslichkeit: immiscible
BRN: 1871712 · 1871712
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
InChI: 1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey: MGZFVSUXQXCEHM-UHFFFAOYSA-N
SMILES: CCOC(=O)COc1ccccc1
LogP: 2.348 · 2.348 (est)
CAS Datenbank: 2555 · 2555-49-9(CAS DataBase Reference)
EPA chemische Informationen: Acetic acid, phenoxy-, ethyl ester (2555-49-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 8.1% (114 of 1402) of reports.

Warning

H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 1402 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationChemical: Acetic acid, phenoxy-, ethyl ester

Other Safety InformationIMAP assessments - Acetic acid, phenoxy-, ethyl ester: Environment tier I assessment

Hazard Classes and CategoriesEye Irrit. 2 (91.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29189900
safety_code: 24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFragrance Ingredients

General Manufacturing InformationAcetic acid, 2-phenoxy-, ethyl ester: ACTIVE

Anwendungen · 1 Eintrag

VerwendenThe ester is occasic nally used in flavor compositions, mainly imitation Honey, where it can help tone down the rather pungent notes of the conventional Methyl- and Ethyl phenylacetates. Higher esters of Phenoxyacetic acid are also used in Honey - for perfumes andflavors, and some of them find their way into Styrax-bases.