m-Ethylbenzaldehyd

m-Ethylbenzaldehyde

HCID 118623CAS 34246-54-3

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Grundinformationen

Standard-SMILES: CCc1cccc(C=O)c1
InChIKey: LLYXUFQXCNIGDG-UHFFFAOYSA-N
Summenformel: C9H10O
Durchschnittliche Molmasse: 134,17 g/mol
Monoisotopische Masse: 134,07316494

Namen und Bezeichner

Bevorzugter Name: m-Ethylbenzaldehyde
IUPAC: 3-ethylbenzaldehyde
Lokaler Name: m-Ethylbenzaldehyd
Englischer Name: 3-Ethylbenzaldehyde
Summenformel: C9H10O
Molmasse: 134.18

Namen und Synonyme

3-Ethylbenzaldehyde34246-54-3m-EthylbenzaldehydeDTXSID90187819EINECS 251-896-7RefChem:800365DTXCID00110310251-896-7Benzaldehyde, 3-ethyl-MFCD092634823-Ethyl-benzaldehydeSCHEMBL291613

Weitere Namen anzeigen

2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propanoic acid (diphenylmethyl) ester

CL8323AKOS006331230CS-W006593DS-17925EN300-96750Z1198218859m-EthBCP06175

Datenbank-Bezeichner

CAS: 34246-54-3
PubChem CID: 118623
DTXSID: DTXSID90187819
ChEBI: CHEBI:229392
EC Number: 251-896-7
Nikkaji: J287.884D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 109

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1168

Physikochemische Eigenschaften

Siedepunkt: 73 °C · 73 °C(Press: 5.5 Torr)
Dichte: 1.001 · 1.001±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Colourless
Stabilität: Moisture Sensitive
LogP: 2.701 · 2.701 (est)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2912290090

Chemie und Industrie

Anwendungen

Beschreibung3-Ethylbenzaldehyde is a natural compound that is found in the essential oils of plants such as Capsicum annuum and Cinnamomum zeylanicum.