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2046-17-5

2046-17-5 Structure

2046-17-5 Structure
IdentificationBack Directory
[Name]

METHYL 4-PHENYLBUTYRATE
[CAS]

2046-17-5
[Synonyms]

2046-17-5
TIMTEC-BB SBB007854
METHYL 4-PHENYLBUTYRATE
Methyl 4-phenylbutanoate
benzenebutanoicacid,methylester
Benzenebutyric acid methyl ester
4-Phenylbutyric acid methyl ester
Benzenebutanoic acid, methyl ester
4-Phenylbutanoic acid methyl ester
Methyl ester of benzenebutanoic acid
Butyric acid, 4-phenyl-, methyl ester
[EINECS(EC#)]

218-067-1
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00043756
[MOL File]

2046-17-5.mol
[Molecular Weight]

178.23
Chemical PropertiesBack Directory
[Boiling point ]

270.46°C (rough estimate)
[density ]

1.0292 (rough estimate)
[FEMA ]

2739 | METHYL 4-PHENYLBUTYRATE
[refractive index ]

1.5090 (estimate)
[storage temp. ]

2-8°C
[form ]

liquid
[color ]

Colourless
[Odor]

at 100.00 %. sweet fruit honey floral
[Odor Type]

fruity
[JECFA Number]

1464
[LogP]

2.77
[CAS DataBase Reference]

2046-17-5
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Phenylbutyric acid
[Preparation Products]

1-CHLORO-4-PHENYLBUTANE
Safety DataBack Directory
[HS Code ]

2916399090
Hazard InformationBack Directory
[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
[Definition]

ChEBI: Methyl 4-phenylbutanoate is a fatty acid methyl ester.
[Preparation]

By direct esterification of γ-butyric acid.
[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
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