3-Methoxyacetophenone (HCID 11460)

Namen und Bezeichner

Bevorzugter Name: 3-Methoxyacetophenone
IUPAC: 1-(3-methoxyphenyl)ethanone
Lokaler Name: 3-Methoxyacetophenon
Englischer Name: 3-Methoxyacetophenone
Summenformel: C9H10O2
Molmasse: 150.17

Namen und Synonyme

3'-Methoxyacetophenone586-37-83-Methoxyacetophenone3-Acetylanisole1-(3-METHOXYPHENYL)ETHANONEm-MethoxyacetophenoneEthanone, 1-(3-methoxyphenyl)-Acetophenone, m-methoxy-NSC 65593Acetophenone, 3'-methoxy-1K3UR56Z4NEINECS 209-573-3

Weitere Namen anzeigen

Methyl 3-methoxyphenyl ketone1-[3-(METHOXY-D3)PHENYL]ETHAN-1-ONE1-(3-Methoxyphenyl)ethan-1-one, 3-AcetylanisoleM-ACETANISOLE3-ACETANISOLE

NSC-65593AI3-26011DTXSID10207321RIVASTIGMINE HYDROGEN TARTRATE IMPURITY H [EP IMPURITY]RIVASTIGMINE HYDROGEN TARTRATE IMPURITY H (EP IMPURITY)mMethoxyacetophenone3'MethoxyacetophenoneAcetophenone, mmethoxy

Datenbank-Bezeichner

CAS: 586-37-8
PubChem CID: 11460
DTXSID: DTXSID10207321
ChEMBL: CHEMBL5270199
UNII: 1K3UR56Z4N
EC Number: 209-573-3
Nikkaji: J90.770G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 142

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Aromatic Compounds

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.84

Vapor Pressure0.08 [mmHg]

Physical Description · 2 Einträge

Pale yellow liquid; [Alfa Aesar MSDS]

Liquid

Physikochemische Eigenschaften

Schmelzpunkt: -7 °C · -7 °C
Siedepunkt: 239 · 239-241 °C(lit.)
Dichte: 1.094 g/mL · 1.094 g/mL at 25 °C(lit.)
Dampfdruck: 2.41 · 2.41-10.665Pa at 20-25℃
Brechungsindex: 20 · n20/D 1.542(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Liquid
Wichte: 1.094 · 1.094
Farbe: Clear slightly yellow to slightly brown
Wasserlöslichkeit: Fully miscible in water. Soluble in alcohol.
BRN: 878552 · 878552
Henry's Law Constant: 1.9 · 1.9×101 mol/(m3Pa) at 25℃, Ji et al. (2008)
InChI: 1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
InChIKey: BAYUSCHCCGXLAY-UHFFFAOYSA-N
SMILES: COc1cccc(c1)C(C)=O
LogP: 1.86 · 1.86-2.085 at 20-25℃
CAS Datenbank: 586 · 586-37-8(CAS DataBase Reference)
NIST chemische Informationen: 1 · Ethanone, 1-(3-methoxyphenyl)-(586-37-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 60% (12 of 20) of all reports.

Warning

H302 (35%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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)

Aggregated GHS information provided per 20 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 17-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17382

Ethanone, 1-(3-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Anisole and Acetophenone. See 4-Acetylanisole.

Hazard Classes and CategoriesAcute Tox. 4 (35%)

Sicherheitsdaten

wgk: 3
hs_code: 29145000
risk_code: 36/38-22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 23-24/25-37/39-26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen

VerwendenIt is applied in the asymmetric transfer hydrogenation of ketones catalyzed by ruthenium(II) complexes.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Benzene, 1-methoxy-3-(1-methylethenyl)-3-Methoxyphenylboronic acid 3-Ethynylanisole 96 Brommethyl-3-methoxyphenylketon 4'-Hydroxy-3'-methoxyacetophenon 3-Bromoanisole

Nachgelagerte Produkte

2-Phenylbenzoxazole 1-(2-Hydroxy-5-methoxyphenyl)ethan-1-on 2-(3-Methoxyphenyl)quinoline-4-carboxylic acid 3'-Methoxy-3-(4-methylphenyl)propiophenone 5-(3-Methoxyphenyl)-5-methylimidazolidine-2,4-dione (2E)-1-(3-methoxyphenyl)-3-(thiophen-2-yl)prop-2-en-1-one 2-(3-Methoxyphenyl)-8-methylquinoline-4-carboxylic acid

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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