Methyl 4-phenylbutanoate
- CAS NO.:2046-17-5
- Empirical Formula: C11H14O2
- Molecular Weight: 178.23
- MDL number: MFCD00043756
- EINECS: 218-067-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-22 13:59:06
What is Methyl 4-phenylbutanoate?
Description
Methyl 4-phenylbutyrate has a powerful, sweet, fruity, floral odor. Below 10 ppm, the flavor is extremely sweet and fruity. May be prepared by direct esterification of γγ-butyric acid.
Chemical properties
Methyl 4-phenylbutyrate has a powerful, sweet, fruity, floral odor. The flavor becomes extremely sweet and fruity at concentrations below 10 ppm
The Uses of Methyl 4-phenylbutanoate
Methyl 4-phenylbutanoate finds some use in flavor compositions, mainly as a modifier in Strawberry imitation, where is seems to do a better job, although perhaps not with the same power-as Methyl cinnamate and Methyl-hydrocinnamate. It is also used in trace amounts in Honey imitations and in various fruit complexes.
Preparation
By direct esterification of γ-butyric acid.
Definition
ChEBI: Methyl 4-phenylbutanoate is a fatty acid methyl ester.
Synthesis Reference(s)
Synthetic Communications, 20, p. 3131, 1990 DOI: 10.1080/00397919008051536
Tetrahedron Letters, 30, p. 219, 1989 DOI: 10.1016/S0040-4039(00)95164-5
Synthesis
Methyl 4-phenylbutyrate is synthesized by direct esterification of gamma-Phenylbutyric acid, which may be obtained from Benzoyl propionic acid by Clemmensen type reduction.
Properties of Methyl 4-phenylbutanoate
Boiling point: | 270.46°C (rough estimate) |
Density | 1.0292 (rough estimate) |
refractive index | 1.5090 (estimate) |
FEMA | 2739 | METHYL 4-PHENYLBUTYRATE |
storage temp. | 2-8°C |
color | Colourless |
Odor | at 100.00 %. sweet fruit honey floral |
JECFA Number | 1464 |
CAS DataBase Reference | 2046-17-5 |
Safety information for Methyl 4-phenylbutanoate
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Methyl 4-phenylbutanoate
New Products
4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL 4-(Dimethylamino)tetrahydro-2H-pyran-4-carbonitrile 4-Aminotetrahydropyran-4-carbonitrile Hydrochloride (R)-3-Aminobutanenitrile Hydrochloride 3-((Dimethylamino)methyl)-5-methylhexan-2-one oxalate 1,4-Dioxa-8-azaspiro[4.5]decane 5-Bromo-2-nitropyridine Nimesulide BP Aceclofenac IP/BP/EP Diclofenac Sodium IP/BP/EP/USP Mefenamic Acid IP/BP/EP/USP Ornidazole IP Diclofenac Potassium THOMAIND PAPER PH 2.0 TO 4.5 1 BOX BUFFER CAPSULE PH 9.2 - 10 CAP SODIUM CHLORIDE 0.1N CVS ALLOXAN MONOHYDRATE 98% PLATINUM 0.5% ON 3 MM ALUMINA PELLETS (TYPE 73) LITHIUM AAS SOLUTION 2-Bromo-1-(bromomethyl)-3-chloro-5-nitrobenzene 2-Bromo-3-nitroaniline N-(3-Hydroxypropyl)-N-methylacetamide 3-Bromo-6-chloropyridazine 4-ethyl-3-nitrobenzoic acidRelated products of tetrahydrofuran
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