3',4',5'-Trimethoxyacetophenon

3',4',5'-Trimethoxyacetophenone

HCID 14345CAS 1136-86-3
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Grundinformationen

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
PubChem CID
14345
DTXSID
DTXSID30150481
ChEMBL
CHEMBL5280750
ChEBI
CHEBI:86547
UNII
35KU75558G
EC Number
214-501-9
Nikkaji
J150.377D

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

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of acetophenones that is acetophenone substituted by methoxy groups at positions 3, 4 and 5 respectively.

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