2-Phenylethyl Acetate
Grundinformationen
- CAS
1219805-43-2- Standard-SMILES
CC(=O)OCCc1ccccc1- InChIKey
MDHYEMXUFSJLGV-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
Überblick
Phenethyl acetate is the acetate ester of 2-phenylethanol. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It is functionally related to a 2-phenylethanol.
Namen und Bezeichner
- Bevorzugter Name
- 2-Phenylethyl Acetate
- IUPAC
- 2-phenylethyl acetate
- Englischer Name
- 2-Phenylethyl Acetate-d3
- Summenformel
- C10H12O2
- Molmasse
- 164.2
Namen und Synonyme
Phenethyl acetate2-Phenylethyl acetate103-45-72-Phenethyl acetateBenzylcarbinyl acetateAcetic acid, 2-phenylethyl esterbeta-Phenylethyl acetateAcetic acid, phenethyl esterFEMA No. 2857DTXSID7044506NSC-7192767733846OW
Weitere Namen anzeigen
2-Phenylethyl Acetate-d3
DTXCID5024506CHEBI:31988RefChem:860579203-113-5Acetic Acid Phenethyl EsterPhenylethyl acetatePhenethyl alcohol, acetatephenethylacetate
Datenbank-Bezeichner
- CAS
1219805-43-2- ChEMBL
CHEMBL3184025- ChEBI
CHEBI:31988- UNII
- 67733846OW
- EC Number
- 203-113-5
- Nikkaji
- J4.021E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 137
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Esters, Other
CosmeticsDeodorant
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Phenethyl acetate) -> IFRA transparency List
LogP
2.30
2.3
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.030-1.034
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils, propylene glycol
1 mL in 2 mL 70% ethanol (in ethanol)
Boiling Point
238.00 to 239.00 °C. @ 760.00 mm Hg
232 °C
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 0.3% (5 of 1937) of reports.
Danger
H318 (79.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1937 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Acetic acid, 2-phenylethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Acetic acid, 2-phenylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic 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: 20-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5534
Phenethyl acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin irritant; Causes somnolence, normocytic anemia, and decreased body temperature in inhalation lethal-concentration studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause serious eye injury; [ECHA REACH Registrations] A mild skin irritant; [Alfa Aesar MSDS] See 2-Phenylethyl propionate.
Hazard Classes and CategoriesEye Dam. 1 (79.9%)
Toxikologische Informationen
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Uses
Used as a flavoring agent; [FDA] Used to make fragrances and perfumes, in industrial, professional, and consumer cleaning products, professional and consumer waxes and polishes, and consumer air care, biocidal products, personal care products, and cosmetics; [ECHA REACH Registrations]
U.S. Production2023: 8,358,890 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 22 consumer products that contain Phenethyl Acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Deodorant
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Acetic acid, 2-phenylethyl ester: ACTIVE
Anwendungen
Verwenden2-Phenylethyl Acetate-d3 (CAS# 1219805-43-2) is a useful isotopically labeled research compound.
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…