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617-50-5

617-50-5 Structure

617-50-5 Structure
IdentificationMore
[Name]

ISOBUTYRIC ACID ISOPROPYL ESTER
[CAS]

617-50-5
[Synonyms]

FEMA 2937
ISOBUTYRIC ACID ISOPROPYL ESTER
ISOPROPYL ISOBUTYRATE
1-Methylethyl2-methylpropanoate
2-methyl-propanoicaci1-methylethylester
iso-C3H7C(O)OCH(CH3)2
Isopropyl 2-methylpropanoate
Isopropyl isobutanoate
Propanoicacid,2-methyl-,1-methylethylester
2-methyl-propanoic acid 1-methylethyl ester
lsopropyl isobutyrate
2-Methylpropionic acid isopropyl ester
[EINECS(EC#)]

210-517-5
[Molecular Formula]

C7H14O2
[MDL Number]

MFCD00059365
[Molecular Weight]

130.18
[MOL File]

617-50-5.mol
Chemical PropertiesBack Directory
[Melting point ]

-95.2°C (estimate)
[Boiling point ]

120 °C
[density ]

0.85
[FEMA ]

2937
[refractive index ]

n20/D 1.388(lit.)
[Fp ]

20 °C
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. pineapple sweet fruity citrus pear
[Odor Threshold]

0.035ppm
[Odor Type]

fruity
[JECFA Number]

309
[LogP]

1.93
[CAS DataBase Reference]

617-50-5(CAS DataBase Reference)
[EPA Substance Registry System]

Propanoic acid, 2-methyl-, 1-methylethyl ester (617-50-5)
Safety DataBack Directory
[Hazard Codes ]

F
[Risk Statements ]

R11:Highly Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

2406
[RTECS ]

NQ5320000
[HS Code ]

2915.60.5000
[HazardClass ]

3.1
[PackingGroup ]

II
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isopropyl alcohol-->Isobutyryl chloride-->Ethyl methacrylate-->Isobutyric acid
Hazard InformationBack Directory
[General Description]

A colorless liquid. Flash point near 30°F. Boiling point near 280°F. Less dense than water. Vapors heavier than air. Used as a solvent and to make flavorings.
[Reactivity Profile]

ISOPROPYL ISOBUTYRATE(617-50-5) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
[Air & Water Reactions]

Highly flammable. Soluble in water.
[Health Hazard]

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.
[Fire Hazard]

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
[Description]

Isopropyl isobutyrate has an intense, fruity, ether-like odor. May be prepared by boiling isobutyryl chloride and isopropyl alcohol.
[Chemical Properties]

Isopropyl isobutyrate has an intense, fruity, ether-like odor
[Occurrence]

Reported found in laurel.
[Uses]

Isopropyl Isobutyrate is a useful reactant in organic synthesis.
[Definition]

ChEBI: Isopropyl 2-methylpropanoate is a carboxylic ester.
[Preparation]

By boiling isobutyl chloride and isopropyl alcohol.
[Aroma threshold values]

Detection: 26 to 60 ppb
Spectrum DetailBack Directory
[Spectrum Detail]

ISOBUTYRIC ACID ISOPROPYL ESTER(617-50-5)MS
ISOBUTYRIC ACID ISOPROPYL ESTER(617-50-5)1HNMR
ISOBUTYRIC ACID ISOPROPYL ESTER(617-50-5)13CNMR
ISOBUTYRIC ACID ISOPROPYL ESTER(617-50-5)IR1
ISOBUTYRIC ACID ISOPROPYL ESTER(617-50-5)IR2
ISOBUTYRIC ACID ISOPROPYL ESTER(617-50-5)Raman
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

Isopropyl Isobutyrate,>95.0%(GC)(617-50-5)
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