3',4',5'-Trimethoxyacetophenon

3,4,5-TRIMETHOXYACETOPHENONE · AKOS 217-16 · 4-(438-Butyl)phenol · LABOTEST-BB LT00233192 · 3',4',5'-Trimethoxyacetophenone · 3,4,5-'Trimethoxyacetophenone98% · Acetophenone, 3',4',5'-trimethoxy · 1-(3,4,5-Trimethoxyphenyl)ethanone

https://huagongshe.com/de/chemical/14345

Molekülstruktur von 3',4',5'-Trimethoxyacetophenon

Identifikatoren & physikalische Daten

CAS No.	1136-86-3
Summenformel	C11H14O4
Durchschnittliche Molmasse	210,23 g/mol
Monoisotopische Masse	210,08920893 g/mol
SMILES	COc1cc(C(C)=O)cc(OC)c1OC
InChIKey	VUGQIIQFXCXZJU-UHFFFAOYSA-N
PubChem CID	14345
ChEMBL	CHEMBL5280750
ChEBI	CHEBI:86547
EC No.	214-501-9
DTXSID	DTXSID30150481
Lokaler Name	3',4',5'-Trimethoxyacetophenon

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	44,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	4
Schwere Atome	15
Formalladung	0
Komplexität	203
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	78-80 °C(lit.)
Siedepunkt	173-174 °C10 mm Hg(lit.)
Dichte	1.1922 (rough estimate)
Brechungsindex	1.5075 (estimate)
Flammpunkt	173-174°C/10mm
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
Farbe	White to Light yellow to Light orange
Löslichkeit	Slightly soluble in water.
BRN	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
SMILES	C(=O)(C1=CC(OC)=C(OC)C(OC)=C1)C
CAS Datenbank	1136-86-3(CAS DataBase Reference)
NIST chemische Informationen	Ethanone, 1-(3,4,5-trimethoxyphenyl)-(1136-86-3)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (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.
Regulatorische Informationen	Ethanone, 1-(3,4,5-trimethoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2914390090
R-Sätze (R)	34
Gefahrensymbole	C
Sicherheitshinweise (S)	22-24/25-45-36/37/39-27-26
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

3',4',5'-Trimethoxyacetophenone is used in agrochemical, pharmaceutical and dyestuff field .

Herstellung & Synthese

synthetische

Obtained 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.