4-Methoxyphenylaceton
1-(p-Methoxyphenyl)-2-propanone
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Grundinformationen
- CAS
122-84-9- Standard-SMILES
COc1ccc(CC(C)=O)cc1- InChIKey
WFWKNGZODAOLEO-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
- Monoisotopische Masse
- 164,08372962
Überblick
1-(4-Methoxyphenyl)-2-propanone is an alkylbenzene.
Namen und Bezeichner
- Bevorzugter Name
- 1-(p-Methoxyphenyl)-2-propanone
- IUPAC
- 1-(4-methoxyphenyl)propan-2-one
- Lokaler Name
- 4-Methoxyphenylaceton
- Englischer Name
- 4-Methoxyphenylacetone
- Summenformel
- C10H12O2
- Molmasse
- 164.2
Namen und Synonyme
4-Methoxyphenylacetone122-84-91-(4-methoxyphenyl)propan-2-onep-AcetonylanisoleAnisketone2-Propanone, 1-(4-methoxyphenyl)-Anisyl methyl ketone1-(4-Methoxyphenyl)-2-propanone1-(p-Methoxyphenyl)-2-propanonep-MethoxyphenylacetoneAnisic ketone4-Methoxybenzyl methyl ketone
Weitere Namen anzeigen
FEMA 2674p-MethoxyP-ANISYL ACETONEMethoxyphenylacetone(6-bromo-3-pyridinyl)methanol
p-Methoxybenzyl methyl ketone1-(4-Methoxyphenyl)acetone1-(p-Anisyl)-2-propanone4'-Methoxyphenyl-2-propanonep-Anisylactone2-PROPANONE, 1-(p-METHOXYPHENYL)-P-ANISYLACETONE2-Propanone, (p-methoxyphenyl)-
Datenbank-Bezeichner
- CAS
122-84-9- PubChem CID
- 31231
- DTXSID
DTXSID9059545- ChEMBL
CHEMBL473366- ChEBI
CHEBI:180410- UNII
- 6XYW3YJJ33
- EC Number
- 204-578-7
- Nikkaji
- J31.118I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 146
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (1-(p-Methoxyphenyl)-2-propanone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.067-1.073
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
insoluble in water; soluble in oils, organic solvents
miscible at room temperature (in ethanol)
Boiling Point
145.00 °C. @ 25.00 mm Hg
260 °C (minimum)
Melting Point46 °C
Refractive Index1.520-1.530
Physical Description
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
This chemical does not meet GHS hazard criteria for 97.2% (104 of 107) of all reports.
Not Classified
Aggregated GHS information provided per 107 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propanone, 1-(4-methoxyphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 18-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16978
2-Propanone, 1-(4-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Propanone, 1-(4-methoxyphenyl)-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29145000
- RTECS-Nr.
- UC2990000
- risk_code
- 36/37/38
- Toxizität
- LD50 orl-rat: 3330 mg/kg FCTXAV 17,857,79
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-24/25
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Propanone, 1-(4-methoxyphenyl)-: ACTIVE
Anwendungen
Beschreibungl-(p-Methoxyphenyl)-2-propanone has an odor and taste similar to anise. May be obtained by boiling α- or β-anetholglycol with a 20% solution of sulfuric acid, or from l-(p-methoxyphenyl)- propan-l,2-ol by treatment with diluted sulfuric acid.
OccurrenceReported found in Chinese star anise and in Russian star anise; also reported found in sweet and common fen nel, chervil (Anthriscus cerefolium) and Illicium verum and cherry
VerwendenA volatile compound released by flowering plants to attractant insects
Darstellung
synthetischeObtained by boiling α- or β-anetholglycol with a 2% solution of sulfuric acid, or from 1-(p-methoxyphenyl)-propan-1,2-ol by treatment with diluted sulfuric acid.
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