Grundinformationen
- CAS
102-20-5- Standard-SMILES
O=C(Cc1ccccc1)OCCc1ccccc1- InChIKey
ZOZIRNMDEZKZHM-UHFFFAOYSA-N- Summenformel
- C16H16O2
- Durchschnittliche Molmasse
- 240,3 g/mol
- Monoisotopische Masse
- 240,11502975
Überblick
Phenethyl phenylacetate is a member of benzenes.
Namen und Bezeichner
- Bevorzugter Name
- Phenethyl phenylacetate
- IUPAC
- 2-phenylethyl 2-phenylacetate
- Lokaler Name
- Phenethylphenylacetat
- Englischer Name
- Phenethyl phenylacetate
- Summenformel
- C16H16O2
- Molmasse
- 240.3
Namen und Synonyme
Phenethyl phenylacetate2-Phenylethyl phenylacetateBenzeneacetic acid, 2-phenylethyl ester2-phenylethyl 2-phenylacetatePhenylethyl phenylacetatePhenylacetic acid, phenethyl esterACETIC ACID, PHENYL-, PHENETHYL ESTERBenzylcarbinyl alpha-toluatePhenethyl alpha-toluateBenzylcarbinyl phenylacetate2-Phenylethyl alpha-toluate2-Phenylethyl benzeneacetate
Weitere Namen anzeigen
PHENYL ETHYL PHENYL ACETATEphenethylFEMA 2866Phenethyl 2-phenylacetatePhenyl Ethyl PhenylBenzylcarbinyl a-toluateAI3-00817AI3 00817 AI300817Phenethylphenylacetatphenethylalpha-toluate
FEMA No. 2866NSC 6676AI3-20106.beta.-Phenylethyl phenylacetateDTXSID0044494Phenethyl .alpha.-toluateEINECS 203-013-1UNII-5J5OJ7GH15
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 237
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Phenethyl phenylacetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.079-1.082
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
1 mL in 4 mL 90% ethanol (in ethanol)
Boiling Point
324.00 to 325.00 °C. @ 760.00 mm Hg
325 °C
Melting Point28 °C
Refractive Index1.545-1.551
Physical Description
Liquid
Solid
Colourless to slighty yellow liquid or crystalline mass; rose-hyacinth type odour
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 1.1% (21 of 1880) of reports.
H411 (96.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1880 reports by companies from 7 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzeneacetic acid, 2-phenylethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, 2-phenylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetic acid, 2-phenylethyl ester 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: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12827
Phenylethyl phenylacetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneacetic acid, 2-phenylethyl ester: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (96.8%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29163990
- RTECS-Nr.
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
U.S. Production2023: 20,983 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 17 consumer products that contain Phenethyl Phenylacetate in the following categories is provided:
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 Information
All Other Chemical Product and Preparation Manufacturing
Benzeneacetic acid, 2-phenylethyl ester: ACTIVE
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
VerwendenPhenethyl Phenylacetate is a flavoring agent that is a colorless or pale yellow liquid, with an odor resembling roses and hyacinth, which becomes solid at
Darstellung
synthetischeBy esterification of phenylacetic acid with phenethyl alcohol in the presence of H2SO4; also by direct esterification in the presence of gaseous HCl.
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