Ethyl-1-naphthylacetat

alpha-Naphthaleneacetic acid, ethyl ester

HCID 62428CAS 2122-70-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCOC(=O)Cc1cccc2ccccc12
InChIKey: XIDPSKQLXKCVQN-UHFFFAOYSA-N
Summenformel: C14H14O2
Durchschnittliche Molmasse: 214,26 g/mol
Monoisotopische Masse: 214,09937969

Namen und Bezeichner

Bevorzugter Name: alpha-Naphthaleneacetic acid, ethyl ester
IUPAC: ethyl 2-naphthalen-1-ylacetate
Lokaler Name: Ethyl-1-naphthylacetat
Englischer Name: Ethyl 1-naphthaleneacetate
Summenformel: C14H14O2
Molmasse: 214.26

Namen und Synonyme

Ethyl 1-naphthaleneacetate2122-70-5Ethyl 1-naphthylacetate1-Naphthaleneacetic acid, ethyl esterCaswell No. 589AADTXSID3034583alpha-Naphthaleneacetic acid, ethyl ester1-Naphththaleneacetic acid, ethyl ester4OV7F7186VEINECS 218-332-1NSC 74497NSC-74497

Weitere Namen anzeigen

AKOS AU36-M550naa,ethylesterEthyl 1-naphthaleneaEthyl 1-NaphthylactetateEthyl 2-(1-Naphthyl)acetateETHYL-1-NAPHTHALENE ACETATE1-Naphthylacetate ethyl esterethyl 2-naphthalen-1-ylacetateethyl 2-naphthalen-1-ylethanoate

EPA Pesticide Chemical Code 056008BRN 1106730AI3-02254(1-NAPHTHYL)ACETIC ACID ETHYL ESTERDTXCID1014583NAPHTHALENEACETIC ACID, ETHYL ESTERNAPHTHALENEACETIC ACID ETHYL ESTER, 1-RefChem:555890

Datenbank-Bezeichner

CAS: 2122-70-5
PubChem CID: 62428
DTXSID: DTXSID3034583
ChEMBL: CHEMBL3183469
UNII: 4OV7F7186V
EC Number: 218-332-1
Nikkaji: J85.501D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 237

Experimentelle und physikochemische Eigenschaften

Melting Point88.5 °C

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 88.5 °C · 88.5°C
Siedepunkt: 231 °C · 231 °C / 32mmHg
Dichte: 1 · 1,11 g/cm3
Brechungsindex: 1.578 · 1.5780-1.5820
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Oil
Farbe: Clear Colourless
CAS Datenbank: 2122 · 2122-70-5(CAS DataBase Reference)
EPA chemische Informationen: 1 · Ethyl 1-naphthaleneacetate (2122-70-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAquatic Chronic 3 (50%)

Toxikologische Informationen

RAIS Toxicity Values · 2 Einträge

0.25

OPP

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2916399090
RTECS-Nr.: QJ0948000
risk_code: 36/37/38
safety_code: 26-36/37/39

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Household ProductsInformation on 1 consumer products that contain alpha-Naphthaleneacetic acid, ethyl ester in the following categories is provided:；• Landscaping/Yard

General Manufacturing Information1-Naphthaleneacetic acid, ethyl ester: INACTIVE