1-(Methylphenyl)ethan-1-on

2-Methylacetophenone

HCID 11340

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Grundinformationen

CAS: 26444-19-9
Standard-SMILES: CC(=O)c1ccccc1C
InChIKey: YXWWHNCQZBVZPV-UHFFFAOYSA-N
Summenformel: C9H10O
Durchschnittliche Molmasse: 134,17 g/mol
Monoisotopische Masse: 134,07316494

Überblick

2'-methylacetophenone is a member of the class of acetophenones that is acetophenone which is substituted by a methyl group at position 2. It has a role as an acaricide, a flavouring agent and a fungal metabolite. It is a member of acetophenones and a member of toluenes.

Namen und Bezeichner

Bevorzugter Name: 2-Methylacetophenone
IUPAC: 1-(2-methylphenyl)ethanone
Lokaler Name: 1-(Methylphenyl)ethan-1-on
Englischer Name: 1-(methylphenyl)ethan-1-one
Summenformel: C9H10O
Molmasse: 134.1751

Namen und Synonyme

577-16-22'-METHYLACETOPHENONE1-(o-Tolyl)ethanone2-Methylacetophenone2-Acetyltolueneo-Acetyltoluene2'-MethylacetylphenoneEthanone, 1-(2-methylphenyl)-1-(2-methylphenyl)ethan-1-oneMethyl o-tolyl ketoneAcetophenone, 2'-methyl-ortho-methylacetophenone

Weitere Namen anzeigen

1-(methylphenyl)ethan-1-one

1-(o-tolyl)ethan-1-onemethyl 2-methylphenyl ketone1-(2-Tolyl)ethanoneNSC 84233Ethanone, 1-(methylphenyl)-23O5EV975S2-METHYLPHENYL METHYL KETONEEINECS 209-408-5

Datenbank-Bezeichner

CAS: 26444-19-9、577-16-2
PubChem CID: 11340
DTXSID: DTXSID501015360
ChEBI: CHEBI:145958
UNII: 23O5EV975S
EC Number: 209-408-5、247-691-7
Nikkaji: J45.639J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.023-1.029

Flavoring AgentsEU Flavoring substances

Solubility · 2 Einträge

Practically insoluble or insoluble in water

Soluble (in ethanol)

Physikochemische Eigenschaften

Siedepunkt: 95 · 95-120 °C(Press: 15 Torr)
EPA chemische Informationen: 1 · Ethanone, 1-(methylphenyl)- (26444-19-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1375 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.