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ChemicalBook--->CAS DataBase List--->105-01-1

105-01-1

105-01-1 Structure

105-01-1 Structure
IdentificationBack Directory
[Name]

Isobutyl furfurylacetate
[CAS]

105-01-1
[Synonyms]

FEMA 2198
isobutylfuran-2
ISOBUTYL FURFURYLACETATE
Isobutyl furyi propionate
ISOBUTYL FURYL PROPIONATE
isobutylfuran-2-propionate
isobutyl-2-furanpropionate
ISOBUTYL3-(2-FURAN)PROPIONATE
ISOBUTYL3-(2-FURYLPROPIONATE)
Isobutyl 3-(2-furyl)propanoate
2-FURANPROPIONIC ACID:ISOBUTYL ESTER
Furan-2-propanoic acid isobutyl ester
2-methylpropyl 3-furan-2-ylpropanoate
3-(2-Furyl)propionic acid isobutyl ester
2-Furanpropanoicacid,2-methylpropylester
[EINECS(EC#)]

203-261-0
[Molecular Formula]

C11H16O3
[MDL Number]

MFCD00047069
[MOL File]

105-01-1.mol
[Molecular Weight]

196.24
Chemical PropertiesBack Directory
[Boiling point ]

273.13°C (rough estimate)
[density ]

1.0962 (rough estimate)
[FEMA ]

2198 | ISOBUTYL 3-(2-FURAN)PROPIONATE
[refractive index ]

1.4600 (estimate)
[Odor]

at 10.00 % in dipropylene glycol. fruity floral winey woody pineapple
[Odor Type]

fruity
[JECFA Number]

1514
[InChI]

InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
[InChIKey]

SVDPTFHRRNUNRS-UHFFFAOYSA-N
[SMILES]

O1C=CC=C1CCC(OCC(C)C)=O
[LogP]

2.83
[EPA Substance Registry System]

2-Furanpropanoic acid, 2-methylpropyl ester(105-01-1)
Safety DataBack Directory
[Hazard Codes ]

T+
[Risk Statements ]

22-27
[Safety Statements ]

28-36/37-45
[Toxicity]

rabbit,LD50,skin,2gm/kg (2000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 835, 1979.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Methyl-1-propanol
Hazard InformationBack Directory
[Description]

Isobutyl 2-furanpropionate has a fruity, winey, brandy-like odor and a pungent taste above 50 ppm. It has a sweet, dry, brandy flavor at low levels. May be synthesized by esterification of 2 -furanpropionic acid with isobutanol.
[Chemical Properties]

Isobutyl-2-furanpropionate has a fruity, winey, brandy-like aroma
[Definition]

ChEBI: Isobutyl 2-furanpropionate is a fatty acid ester.
[Preparation]

By esterification of 2-furanpropionic acid with isobutanol
[Aroma threshold values]

Aroma characteristics at 1.0%: sweet, fruity, ripe pineapple, cherry, slightly cinnamon spicy, brown caramel and slightly balsamic
[Taste threshold values]

Taste characteristics at 10 ppm: winey, fruity pineapple, cherry and honey with slight spicy cinnamic and berry nuances.
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