1-Phenylethyl Acetate
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Grundinformationen
- CAS
29759-11-3- 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
1-Phenylethyl acetate93-92-5Styralyl acetatealpha-Methylbenzyl acetateMethylphenylcarbinyl acetateMethyl phenyl carbinyl acetatemethyl phenylcarbinyl acetatesec-Phenylethyl acetateUNII-FYS3E9NBA3.alpha.-Methylbenzyl acetateEINECS 202-288-5DTXSID6041636
Weitere Namen anzeigen
METHYLBENZYLACETATE(MIXEDORTHO,META,PARA)
Benzenemethanol, alpha-methyl-, acetateBENZENEMETHANOL, .ALPHA.-METHYL-, ACETATE1-Acetoxy-1-phenylethaneBRN 1908635AI3-18152FEMA 2684NSC-2397EC 202-288-5
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 StruktureigenschaftenWird ergänzt
- 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
FragrancesFragrance Ingredient (alpha-Methylbenzyl acetate) -> IFRA transparency List
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
Flavoring AgentsEU Flavoring substances
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
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 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
Hazard Classes and CategoriesNot Classified
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 114 consumer products that contain Methylbenzyl Acetate in the following categories is provided:
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.
Zugehörige Reaktionen
8
Notizen zur Verbindung
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