ChemicalBook--->CAS DataBase List--->10031-71-7

10031-71-7

10031-71-7 Structure

10031-71-7 Structure
IdentificationBack Directory
[Name]

BETA PHENYL ETHYL DIMETHYL CARBINYL ISOBUTYRATE
[CAS]

10031-71-7
[Synonyms]

FEMA 2736
papaya isobutyrate
1,1-dimethyl-3-phenylpropyl
1,1-dimethyl-3-phenylpropylr
2-METHYL-4-PHENYL-2-BUTYLISOBUTYRATE
1,1-dimethyl-3-phenylpropylisobutyrate
DIMETHYL PHENYL ETHYL CARBINYL ISOBUTYRATE
BETA PHENYL ETHYL DIMETHYL CARBINYL ISOBUTYRATE
Isobutyric acid α,α-dimethyl-γ-phenylpropyl ester
Propanoicacid,2-methyl-,1,1-dimethyl-3-phenylpropylester
[EINECS(EC#)]

233-092-8
[Molecular Formula]

C15H22O2
[MDL Number]

MFCD00216766
[MOL File]

10031-71-7.mol
[Molecular Weight]

234.33
Chemical PropertiesBack Directory
[Boiling point ]

314.5±21.0 °C(Predicted)
[density ]

0.969±0.06 g/cm3(Predicted)
[FEMA ]

2736 | 2-METHYL-4-PHENYL-2-BUTYL ISOBUTYRATE
[Odor]

at 100.00 %. floral green geranium honey powdery papaya tropical raisin plum
[biological source]

synthetic
[Odor Type]

floral
[JECFA Number]

1461
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
[InChIKey]

WCEXWNUHYPYHDN-UHFFFAOYSA-N
[SMILES]

CC(C)(OC(C(C)C)=O)CCC1=CC=CC=C1
[LogP]

4.45
[EPA Substance Registry System]

Propanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester (10031-71-7)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Description]

2-Methyl-4-phenyl-2-butyl isobutyrate has a herbaceous, teα-like, sweet odor with a fruit-juice flavor. May be prepared by esterification of dimethyl phenylethyl carbinol with isobutyric acid or anhydride.
[Chemical Properties]

2-Methyl-4-phenyl-2-butyl isobutyrate has an herbaceous, tea-like, sweet odor and a fruit juice flavor
[Uses]

Dimethyl Phenyl Ethyl Carbinyl Isobutyrate Finds some use in flavor compositions for imitation fruit, Melon, Berry-types, Cherry, Plum, etc.
[Preparation]

By esterification of dimethyl phenylethyl carbinol with isobutyric acid or anhydride.
[Taste threshold values]

Taste characteristics at 10 ppm: green, floral, fruity and honey with a tropical nuance
[Synthesis]

Papaya isobutyrate is produced by direct esterification of Dimethylphenylethylcarbinol with iso-Butyric acid or iso-Butyric anhydnde. In the former case, preferably under azeotropic conditions.
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