2,3-Dimethyl-p-anisaldehyde
Grundinformationen
- CAS
38998-17-3- Standard-SMILES
COc1ccc(C=O)c(C)c1C- InChIKey
MAFDJCNDRCNZFM-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
- Monoisotopische Masse
- 164,08372962
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Dimethyl-p-anisaldehyde
- IUPAC
- 4-methoxy-2,3-dimethylbenzaldehyde
- Englischer Name
- 2,3-Dimethylanisaldehyde
- Summenformel
- C10H12O2
- Molmasse
- 164.2
Namen und Synonyme
4-Methoxy-2,3-dimethylbenzaldehyde38998-17-32,3-Dimethyl-p-anisaldehydeEINECS 254-241-3DTXSID80192275RefChem:442512DTXCID90114766254-241-32,3-Dimethyl-4-methoxybenzaldehyde2,3-DimethylanisaldehydeBenzaldehyde, 4-methoxy-2,3-dimethyl-MFCD00003339
Weitere Namen anzeigen
2,3-DIMETHYL-ANISALDEHYD2,3-DIMETHYL-4-METHOXY-BENZALDEHYDE2,3-DiMethyl-4-Methoxybenzaldehyde 99%4-METHOXY-2,3-DIMETHYLBENZALDEHYDE 95%
4-methoxy-2,3-dimethyl-benzaldehyde2,3-Dimethyl-para-anisaldehydeCL82424-Methoxy-2,3-dimethylbenzaldehyde #CS-W017904A824370SCHEMBL851964SCHEMBL10492915
Datenbank-Bezeichner
- CAS
38998-17-3- PubChem CID
- 596058
- DTXSID
DTXSID80192275- EC Number
- 254-241-3
- Nikkaji
- J319.886C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 156
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 52 · 52-55 °C(lit.)
- Siedepunkt
- 149 · 149-151 °C(Press: 12 Torr)
- Dichte
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- solid
- BRN
- 1943017 · 1943017
- InChI
- 1S/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H3
- InChIKey
- MAFDJCNDRCNZFM-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(OC)c(C)c1C
- CAS Datenbank
- 38998 · 38998-17-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2912490090
- safety_code
- 22-24/25
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden2,3-Dimethyl-4-methoxybenzaldehyde (2,3-Dimethylanisaldehyde) was used to prepare β-aryl-β-ketophosphonates.
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