Ethyl-p-tolylacetat

Ethyl p-tolylacetate

HCID 84175CAS 14062-19-2

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Grundinformationen

Standard-SMILES: CCOC(=O)Cc1ccc(C)cc1
InChIKey: BTRGZBIXPLFVNK-UHFFFAOYSA-N
Summenformel: C11H14O2
Durchschnittliche Molmasse: 178,23 g/mol
Monoisotopische Masse: 178,09937969

Namen und Bezeichner

Bevorzugter Name: Ethyl p-tolylacetate
IUPAC: ethyl 2-(4-methylphenyl)acetate
Lokaler Name: Ethyl-p-tolylacetat
Englischer Name: ETHYL P-TOLYLACETATE
Summenformel: C11H14O2
Molmasse: 178.23

Namen und Synonyme

Ethyl p-tolylacetateEINECS 237-904-1DTXSID20161445NSC 46878RefChem:596363DTXCID3083936237-904-114062-19-2Ethyl 4-MethylphenylacetateEthyl 2-(p-tolyl)acetateethyl 2-(4-methylphenyl)acetateBenzeneacetic acid, 4-methyl-, ethyl ester

Weitere Namen anzeigen

P-tolyacetateETHYL 4-TOLYL ACETATEEthyl p-tolylacetate 98%Ethyl p-tolylacetate, 97+%Ethyl p-tolylacetate, 98+%

Ethyl (4-methylphenyl)acetateMFCD000091814-Methylphenylacetic acid ethyl esterp-Tolylacetic acid ethyl esterEthyl-p-tolylacetateEthyl-4-tolylacetateEthyl p-methylphenylacetateNSC-46878

Datenbank-Bezeichner

CAS: 14062-19-2
PubChem CID: 84175
DTXSID: DTXSID20161445
UNII: G6T6X25NBN
EC Number: 237-904-1
Nikkaji: J209.053H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Schmelzpunkt: 62 · 62-63
Siedepunkt: 116 · 116-118 °C13 mm Hg(lit.)
Dichte: 1.008 g/mL · 1.008 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.496(lit.)
Flammpunkt: 229 °F · 229 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
BRN: 2045927 · 2045927
InChI: 1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey: BTRGZBIXPLFVNK-UHFFFAOYSA-N
SMILES: CCOC(=O)Cc1ccc(C)cc1
CAS Datenbank: 14062 · 14062-19-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29163990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

VerwendenEthyl p-tolylacetate was used in preparation of:ethyl-substituted phenylpropioloylacetatesethyl 2-(4-bromomethylphenyl)propionate()-incrustoporin, antifungal agent