Anisyl propionate
Basic information
- CAS
7549-33-9- Standard SMILES
CCC(=O)OCc1ccc(OC)cc1- InChIKey
YWIJRJQYADFRTL-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Overview
4-Methoxybenzyl propanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Names & identifiers
- Preferred name
- Anisyl propionate
- IUPAC
- (4-methoxyphenyl)methyl propanoate
- English name
- ANISYL PROPIONATE
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
ANISYL PROPIONATE7549-33-9p-Methoxybenzyl propionateBenzenemethanol, 4-methoxy-, propanoate4-Methoxybenzenemethyl propanoate4-Methoxybenzenemethanol propanoateFEMA No. 2102DTXSID8047713IBJ5CR95MKNSC-46113DTXCID7027706RefChem:558145
Show more names
FEMA 2102ANISYLPROPIONATpentaanisylpropionatePropionate ester fennelANISYL PROPIONATE 98+%p-Methoxybenzylpropionatp-methoxybenzylpropionate4-METHYLBENZYL PROPIONATE
231-433-5(4-methoxyphenyl)methyl propanoate4-Methoxybenzyl propionateBenzyl alcohol, P-methoxy-, propionate4-Methoxybenzyl propanoatePropionic acid, p-methoxybenzyl esterBenzenemethanol, 4-methoxy-, 1-propanoatepara-anisyl propionate
Database identifiers
- CAS
7549-33-9- PubChem CID
- 61417
- DTXSID
DTXSID8047713- ChEMBL
CHEMBL3188412- ChEBI
CHEBI:173946- UNII
- IBJ5CR95MK
- EC Number
- 231-433-5
- Nikkaji
- J155.591J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Anisyl propionate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.070-1.086
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water, glycerol, propylene glycol; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
277.00 °C. @ 760.00 mm Hg
100-103 °C (0.5 mm Hg)
Refractive Index1.505-1.510
Physical Descriptioncolourless to slightly yellow liquid with a sweet, fruity, floral, vanilla-like odour
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 92% (126 of 137) of all reports.
Not Classified
Aggregated GHS information provided per 137 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, 4-methoxy-, propanoate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenemethanol, 4-methoxy-, propanoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenemethanol, 4-methoxy-, propanoate: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DA4934015
- hs_code
- 2915503000
- Toxicity
- The acute oral LD50 value in rats was reported as 3.33 g/kg (Wohl, 1974). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Wohl, 1974).
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H412
- Precautionary statements
- P273-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzenemethanol, 4-methoxy-, 1-propanoate: ACTIVE
Applications
OccurrenceReported found in fruits.
UsesAnisyl Propionate is a synthetic flavoring agent this is a stable, col- orless liquid with a heliotrope odor. it should be stored in glass or tin containers. it is used in small concentrations to intensify vanilla, plum, and quince flavor for applications in beverages, baked goods, and candy at 6–20 ppm.
Preparation methods
PreparationBy esterification of anisic alcohol with propionic anhydride
Additional notes
DefinitionChEBI: 4-Methoxybenzyl propanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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