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65813-53-8

65813-53-8 Structure

65813-53-8 Structure
IdentificationBack Directory
[Name]

2-PHENYLPROPYL ISOBUTYRATE
[CAS]

65813-53-8
[Synonyms]

FEMA 2892
Hydratropyl isobutyrate
2-PHENYLPROPYL ISOBUTYRATE
B-PHENYLPROPYL ISOBUTYRATE
2-Phenylpropyl isobutyrate,98%
2-PHENYLPROPYL ISOBUTYRATE 98%
2-PHENYLPROPYL ISOBUTYRATE 97+%
beta-methylphenethyl isobutyrate
Isobutyric acid 2-phenylpropyl ester
HYDRATROPYL ISO BUTYRATE (TROPICOEUR)
2-methyl-propanoicaci2-phenylpropylester
2-Methylpropanoic acid 2-phenylpropyl ester
Propanoic acid, 2-methyl-, 2-phenylpropyl ester
[EINECS(EC#)]

265-931-9
[Molecular Formula]

C13H18O2
[MDL Number]

MFCD00008915
[MOL File]

65813-53-8.mol
[Molecular Weight]

206.28
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Boiling point ]

305.14°C (rough estimate)
[density ]

0.973 g/mL at 25 °C(lit.)
[FEMA ]

2892 | 2-PHENYLPROPYL ISOBUTYRATE
[refractive index ]

n20/D 1.485(lit.)
[Fp ]

>230 °F
[color ]

Colourless liquid.
[Odor]

at 100.00 %. fruity floral mango pineapple papaya mango tropical
[biological source]

synthetic
[Odor Type]

floral
[Water Solubility ]

Insoluble in water, soluble in alcohol and oils.
[JECFA Number]

1470
[Major Application]

flavors and fragrances
[InChI]

1S/C13H18O2/c1-10(2)13(14)15-9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
[InChIKey]

LZTCJUAHYXNKRE-UHFFFAOYSA-N
[SMILES]

CC(C)C(=O)OCC(C)c1ccccc1
[LogP]

3.53
[EPA Substance Registry System]

2-Phenylpropyl isobutyrate (65813-53-8)
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Uses]

2-Phenylpropyl isobutyrate finds very little use in perfumery, but it is used in flavor compositions where heavy-fruity notes are desirable, e. g. imitation fruit preserve, Plum, Prune, Blackcurrant, etc. Concentration is normally about 5 to 20 ppm in the finished product.
[Production Methods]

2-Phenylpropyl isobutyrate is produced by direct esterification of Hydratropyl alcohol with iso-Butyric acid under azeotropic conditions.
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
Spectrum DetailBack Directory
[Spectrum Detail]

2-PHENYLPROPYL ISOBUTYRATE(65813-53-8)MS
2-PHENYLPROPYL ISOBUTYRATE(65813-53-8)1HNMR
2-PHENYLPROPYL ISOBUTYRATE(65813-53-8)13CNMR
2-PHENYLPROPYL ISOBUTYRATE(65813-53-8)IR1
2-PHENYLPROPYL ISOBUTYRATE(65813-53-8)Raman
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