Grundinformationen
- Standard-SMILES
CC(=O)OC(C)c1ccccc1- InChIKey
QUMXDOLUJCHOAY-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
- Monoisotopische Masse
- 164,08372962
Überblick
1-Phenylethyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Namen und Bezeichner
- Bevorzugter Name
- 1-Phenylethyl Acetate
- IUPAC
- 1-phenylethyl acetate
- Englischer Name
- Methylbenzyl acetate
- Summenformel
- C10
- Molmasse
- 0
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
29759-11-3、93-92-5- PubChem CID
- 62341
- DTXSID
DTXSID6041636- ChEMBL
CHEMBL3184429- ChEBI
CHEBI:180412- UNII
- FYS3E9NBA3
- EC Number
- 202-288-5、608-412-8
- Nikkaji
- J155.063B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 148
Experimentelle und physikochemische Eigenschaften
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.024-1.040
1.020-1.035
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
94.00 to 95.00 °C. @ 12.00 mm Hg
215-222 °C
214 °C
Refractive Index
1.500-1.510
1.492-1.504
Physical Description
Liquid; Dry Powder; Liquid; CBI
colourless liquid with a powerful sweet floral-fruity, herbaceous odour
colourless liquid with a powerful green-floral odour
Physikochemische Eigenschaften
- FEMA
- 3702 · 3702 | METHYLBENZYL ACETATE (MIXED O,M,P)
- Geruch (Odor)
- 1 % · at 1.00 % in dipropylene glycol. sweet floral fruity herbal
- Geruchsart
- floral
- JECFA Number
- 863 · 863
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMINGFRAGRANCE
- LogP
- 2.28 · 2.28
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1775 of 1775) of all reports.
Not Classified
Aggregated GHS information provided per 1775 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanol, .alpha.-methyl-, acetate
Regulation (EC) No 1831/2003 (amended)
Benzenemethanol, .alpha.-methyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, .alpha.-methyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 24-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12745
Benzenemethanol, .alpha.-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzenemethanol, .alpha.-methyl-, 1-acetate: ACTIVE
Anwendungen
BeschreibungSynthesis: By acetylation of the alcohol.
Darstellung
synthetischeBy acetylation of the alcohol.
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