ChemicalBook--->CAS DataBase List--->583-04-0

583-04-0

583-04-0 Structure

583-04-0 Structure
IdentificationBack Directory
[Name]

ALLYL BENZOATE
[CAS]

583-04-0
[Synonyms]

ALLYL BENZOATE
Allylbenzoate,97%
2-Propenyl benzoate
prop-2-enyl benzoate
BENZOIC ACID ALLYL ESTER
benzoicacid,2-propenylester
[EINECS(EC#)]

209-494-4
[Molecular Formula]

C10H10O2
[MDL Number]

MFCD00026104
[MOL File]

583-04-0.mol
[Molecular Weight]

162.19
Chemical PropertiesBack Directory
[Boiling point ]

83-84°C 5mm
[density ]

1.05
[refractive index ]

1.5160-1.5190
[storage temp. ]

2-8°C, stored under nitrogen
[solubility ]

soluble in Methanol
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Odor]

at 100.00 %. sweet floral cherry berry
[Odor Type]

fruity
[LogP]

3.024 (est)
[CAS DataBase Reference]

583-04-0
[EPA Substance Registry System]

Benzoic acid, allyl ester (583-04-0)
Safety DataBack Directory
[HS Code ]

2916399090
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid. (Yellowish if made by old cross-esterification method). B.P. 230℃. Sp.Gr. 1.058. Insoluble in water.
[Uses]

Allyl Benzoate is a versatile reactant used in the preparation of stable potassium alkyltrifluoroborates for Suzuki-Miyaura cross-coupling reactions with aryltriflates and arylhalides.
[Definition]

ChEBI:Allyl benzoate is a benzoate ester.
[Preparation]

Allyl benzoate is produced by direct esterification (azeotropic) of Allyl alcohol and Benzoic acid.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 57, p. 2166, 1992 DOI: 10.1021/jo00033a048
Tetrahedron Letters, 29, p. 4513, 1988 DOI: 10.1016/S0040-4039(00)80534-1
Synthetic Communications, 5, p. 213, 1975 DOI: 10.1080/00397917508064112
[Solubility in organics]

Allyl Benzoate is miscible with alcohol, perfume oils. Poorly soluble in Propylene glycol.
Spectrum DetailBack Directory
[Spectrum Detail]

ALLYL BENZOATE(583-04-0)MS
ALLYL BENZOATE(583-04-0)1HNMR
ALLYL BENZOATE(583-04-0)IR1
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