3',4',5'-Trimethoxyacetophenon
3',4',5'-Trimethoxyacetophenone
Grundinformationen
- CAS
1136-86-3- Standard-SMILES
COc1cc(C(C)=O)cc(OC)c1OC- InChIKey
VUGQIIQFXCXZJU-UHFFFAOYSA-N- Summenformel
- C11H14O4
- Durchschnittliche Molmasse
- 210,23 g/mol
- Monoisotopische Masse
- 210,08920893
Überblick
3,4,5-trimethoxyacetophenone is a member of the class of acetophenones that is acetophenone substituted by methoxy groups at positions 3, 4 and 5 respectively. It is a member of acetophenones and a member of methoxybenzenes. It is functionally related to an acetophenone.
Namen und Bezeichner
- Bevorzugter Name
- 3',4',5'-Trimethoxyacetophenone
- IUPAC
- 1-(3,4,5-trimethoxyphenyl)ethanone
- Lokaler Name
- 3',4',5'-Trimethoxyacetophenon
- Englischer Name
- 3',4',5'-Trimethoxyacetophenone
- Summenformel
- C11H14O4
- Molmasse
- 210.23
Namen und Synonyme
3',4',5'-Trimethoxyacetophenone1136-86-31-(3,4,5-TRIMETHOXYPHENYL)ETHANONEEthanone, 1-(3,4,5-trimethoxyphenyl)-NSC-3009935KU75558GDTXSID30150481RefChem:90207DTXCID60729723',4',5'-TMA214-501-93,4,5-Trimethoxyacetophenone
Weitere Namen anzeigen
AKOS 217-164-(438-Butyl)phenolLABOTEST-BB LT002331923,4,5-'Trimethoxyacetophenone98%Acetophenone, 3',4',5'-trimethoxy3',4',5'-Trimethoxyacetophenone 98%3',4',5'-Trimethoxyacetophenone,99+%
1-(3,4,5-trimethoxyphenyl)ethan-1-oneMFCD000087383'4'5'-trimethoxyacetophenone(3,4,5-Trimethoxy)acetophenoneEINECS 214-501-9NSC 30099ZINC00057170bmse010088
Datenbank-Bezeichner
- CAS
1136-86-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 44,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 203
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 78 · 78-80 °C(lit.)
- Siedepunkt
- 173 · 173-174 °C10 mm Hg(lit.)
- Dichte
- 1.1922 · 1.1922 (rough estimate)
- Brechungsindex
- 1.5075 · 1.5075 (estimate)
- Flammpunkt
- 173 · 173-174°C/10mm
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow to Light orange
- Wasserlöslichkeit
- Slightly soluble in water.
- BRN
- 1463133 · 1463133
- InChI
- InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
- InChIKey
- VUGQIIQFXCXZJU-UHFFFAOYSA-N
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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
Regulatory InformationEthanone, 1-(3,4,5-trimethoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2914390090
- risk_code
- 34
- hazard_code
- C
- safety_code
- 22-24/25-45-36/37/39-27-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden3',4',5'-Trimethoxyacetophenone is used in agrochemical, pharmaceutical and dyestuff field .
Darstellung
synthetischeObtained by treatment of a mixture of methyl 3,4,5-trimethoxybenzoate (m.p. 82°) and ethyl acetate with sodium on a water boiler for 8 h, then with 25% sulfuric acid.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A member of the class of acetophenones that is acetophenone substituted by methoxy groups at positions 3, 4 and 5 respectively.
Zugehörige Reaktionen
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