2,6-Dimethylbenzaldehyde

HCID 583841CAS 1123-56-4

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Grundinformationen

Standard-SMILES: Cc1cccc(C)c1C=O
InChIKey: QOJQBWSZHCKOLL-UHFFFAOYSA-N
Summenformel: C9H10O
Durchschnittliche Molmasse: 134,17 g/mol
Monoisotopische Masse: 134,07316494

Namen und Bezeichner

Bevorzugter Name: 2,6-Dimethylbenzaldehyde
IUPAC: 2,6-dimethylbenzaldehyde
Englischer Name: 2,6-Dimethylbenzaldehyde
Summenformel: C9H10O
Molmasse: 134.18

Namen und Synonyme

2,6-Dimethylbenzaldehyde1123-56-4DTXSID40342693RefChem:445712DTXCID00293773877-950-5MFCD001280032-Formyl-m-xylenem-Xylene-2-carboxaldehydeBENZALDEHYDE, 2,6-DIMETHYL-2,6-DiMethyl-Benzaldehyde2,6-dimethylbenzaldehyd

Weitere Namen anzeigen

7-Fluoroacetophenone2,6-Dimethylbenzaldehyde>2,6-Dimethylbenzaldehyde,97%2,6-Dimethylbenzaldehyde 97%

2,6-Dimethyl benzaldehydeSCHEMBL66979SCHEMBL476988SCHEMBL283873212,6-Dimethylbenzaldehyde, 97%CL8253SBB063825AKOS005255233

Datenbank-Bezeichner

CAS: 1123-56-4
PubChem CID: 583841
DTXSID: DTXSID40342693
EC Number: 877-950-5
Nikkaji: J328.260K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Schmelzpunkt: 27 · 27-30 °C (lit.)
Siedepunkt: 230 °C · 230 °C (lit.)
Dichte: 1.003 · 1.003±0.06 g/cm3(Predicted)
Flammpunkt: 27 °C · 27 °C
Brechungsindex: 1.548 · 1.5480
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Solid
Farbe: White to yellow
Wasserlöslichkeit: Slightly soluble in water.
InChI: 1S/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H3
InChIKey: QOJQBWSZHCKOLL-UHFFFAOYSA-N
SMILES: [H]C(=O)c1c(C)cccc1C
CAS Datenbank: 1123 · 1123-56-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29122990
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-Dimethylbenzaldehyde has been used as a catalyst for steresopecific polymerization of propylene, and as well, has been used to study the control of postharvest botrytis fruit rot of strawberry and how the volatile Candida intermedia produced, effects mycelial growth of Botrytis cinerea.