ChemicalBook--->CAS DataBase List--->637-78-5

637-78-5

637-78-5 Structure

637-78-5 Structure
IdentificationMore
[Name]

ISOPROPYL PROPIONATE
[CAS]

637-78-5
[Synonyms]

FEMA 2959
ISOPROPYL PROPIONATE
PROPIONIC ACID ISOPROPYL ESTER
C2H5C(O)OCH(CH3)2
Isopropyl ester of propanoic acid
iso-Propyl n-propionate
iso-Propyl propanoate
Propanoic acid, 1-methylethyl ester
propanoicacid,1-methylethylester
Isopropylpropionate,98%
lsopropyl propionate
Propanoic acid isopropyl ester
Propionic acid 1-methylethyl ester
[EINECS(EC#)]

211-300-8
[Molecular Formula]

C6H12O2
[MDL Number]

MFCD00051553
[Molecular Weight]

116.16
[MOL File]

637-78-5.mol
Chemical PropertiesBack Directory
[Melting point ]

-75.9°C (estimate)
[Boiling point ]

108-110°C
[density ]

0,87 g/cm3
[FEMA ]

2959
[refractive index ]

1.3885
[Fp ]

15°C
[solubility ]

0.5% soluble in water, miscible with alcohol, Propylene glycol and oils.
[Water Solubility ]

Slightly soluble in water
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.89
[Odor]

at 100.00 %. fruity ether sweet pineapple banana
[Odor Threshold]

0.0041ppm
[Odor Type]

fruity
[JECFA Number]

306
[BRN ]

1699921
[Henry's Law Constant]

1.8×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004)
[InChI]

1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
[InChIKey]

IJMWOMHMDSDKGK-UHFFFAOYSA-N
[SMILES]

CCC(=O)OC(C)C
[LogP]

1.59
[CAS DataBase Reference]

637-78-5(CAS DataBase Reference)
[EPA Substance Registry System]

Propanoic acid, 1-methylethyl ester (637-78-5)
Safety DataBack Directory
[Hazard Codes ]

F
[Risk Statements ]

R10:Flammable.
R11:Highly Flammable.
[Safety Statements ]

S3/7:Keep container tightly closed in a cool place .
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S24:Avoid contact with skin .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

3272
[WGK Germany ]

WGK 3
[RTECS ]

UF5140000
[TSCA ]

TSCA listed
[HS Code ]

2915.50.5000
[HazardClass ]

3
[PackingGroup ]

II
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

p-Toluenesulfonic 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 PROPIONATE(637-78-5) 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]

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water 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 propionate has a bittersweet taste reminiscent of plum. May be synthesized by direct esterification in benzene solution and in the presence of p-toluenesulfonic acid.
[Chemical Properties]

Isopropyl propionate has a bittersweet taste reminiscent of plum.
[Occurrence]

Reported found in raspberry, currant, kumquat peel oil, papaya and plum brandy
[Uses]

Isopropyl propionate is probably not used in perfumes. It finds some use in flavor compositions, mainly in fruit complexes, “tutti-frutti’’-types, Rum imitation, etc. It produces great “lift” to the flavor and is quite compatible with most fruit flavors. The concentration used is about 10 to 50 ppm in the finished product.
[Definition]

ChEBI:Isopropyl propionate is an isopropyl ester. It is functionally related to a propionic acid.
[Preparation]

By direct esterification in benzene solution and in the presence of p-toluenesulfonic acid
[Taste threshold values]

Taste characteristics at 20 ppm: fruity, berry with a slight bubble gum nuance
Spectrum DetailBack Directory
[Spectrum Detail]

ISOPROPYL PROPIONATE(637-78-5)MS
ISOPROPYL PROPIONATE(637-78-5)1HNMR
ISOPROPYL PROPIONATE(637-78-5)13CNMR
ISOPROPYL PROPIONATE(637-78-5)IR1
ISOPROPYL PROPIONATE(637-78-5)IR2
ISOPROPYL PROPIONATE(637-78-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Isopropyl propionate, 98%(637-78-5)
[TCI AMERICA]

Isopropyl Propionate,>99.0%(GC)(637-78-5)
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