Grundinformationen
- CAS
122-63-4- Standard-SMILES
CCC(=O)OCc1ccccc1- InChIKey
VHOMAPWVLKRQAZ-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
- Monoisotopische Masse
- 164,08372962
Überblick
Benzyl propionate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Namen und Bezeichner
- Bevorzugter Name
- Benzyl propionate
- IUPAC
- benzyl propanoate
- Lokaler Name
- Benzylpropionat
- Englischer Name
- Benzyl propionate
- Summenformel
- C10H12O2
- Molmasse
- 164.2
Namen und Synonyme
BENZYL PROPIONATEBenzyl propanoatePropanoic acid, phenylmethyl esterPropionic acid, benzyl esterPhenylmethyl propanoatePhenylmethyl propionateBenzyl propionate (natrual)FEMA No. 2150Benzyl n-propionateNSC 46100DTXSID4044791UNII-307DN1208L
Weitere Namen anzeigen
benzyl proprionateBenzyl propioteBenzylpropionatBENZYL PROPINATEbenzyl propanonateBenzyl Propiontate
FEMA 2150enzyl n-propionateEINECS 204-559-3307DN1208LAI3-02952NSC-46100BENZYL PROPIONATE [FCC]BENZYL PROPIONATE [FHFI]
Datenbank-Bezeichner
- CAS
122-63-4- PubChem CID
- 31219
- DTXSID
DTXSID4044791- ChEMBL
CHEMBL3185609- ChEBI
CHEBI:180401
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- 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
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Benzyl propionate) -> IFRA transparency List
LogP2.570
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.028-1.033
Flavoring AgentsEU Flavoring substances
Solubility
slightly
insoluble in water; poorly soluble in glycerol, glycols, and mineral oil
miscible at room temperature (in ethanol)
Boiling Point
220.00 to 222.00 °C. @ 760.00 mm Hg
222 °C
Refractive Index1.495-1.500
Physical Description
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1740 of 1740) of all reports.
Not Classified
Aggregated GHS information provided per 1740 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, phenylmethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propanoic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, phenylmethyl 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: 07-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16795
Propanoic acid, phenylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanoic acid, phenylmethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2915 50 00
- RTECS-Nr.
- UA2537603
- Toxizität
- LD50 orally in Rabbit: 3300 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
U.S. Production2023: 7,000,000 - <8,500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 14 consumer products that contain Benzyl Propionate 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
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Propanoic acid, phenylmethyl ester: ACTIVE
Anwendungen
OccurrenceReported found in strawberry and melon.
VerwendenBenzyl Propionate is a flavoring agent which is liquid, colorless and has a sweet, fruity odor. it is soluble in most fixed oils and alcohol, slightly soluble in propylene glycol, and insoluble in glycerin.
Darstellung
synthetischeBy esterification of benzyl alcohol with propionic acid.
Vor- und nachgelagerte Produkte
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