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638-11-9

638-11-9 Structure

638-11-9 Structure
IdentificationMore
[Name]

ISOPROPYL BUTYRATE
[CAS]

638-11-9
[Synonyms]

BUTYRIC ACID ISOPROPYL ESTER
FEMA 2935
ISOPROPYL BUTYRATE
ISOPROPYL N-BUTYRATE
N-BUTYRIC ACID ISOPROPYL ESTER
PROPYL ISO, BUTANOATE
PROPYL ISO, BUTYRATE
TOLUENE-4-SULFONIC ACID
2-propyl butanoate
butanoicacid,1-methylethylester
Isopropyl butanoate
n-C3H7C(O)OCH(CH3)2
ISOPROPYL BUTYRATE 98+%
N-BUTYRIC ACID ISOPROPYL ESTER 99+%
isopropylbutanoate,2-propylbutanoate
1-Methylethyl butanoate
Butanoic acid isopropyl
Butyric acid isopropyl
[EINECS(EC#)]

211-320-7
[Molecular Formula]

C7H14O2
[MDL Number]

MFCD00009390
[Molecular Weight]

130.18
[MOL File]

638-11-9.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid.
[Melting point ]

-95.2°C (estimate)
[Boiling point ]

130-131 °C(lit.)
[density ]

0.859 g/mL at 25 °C(lit.)
[vapor pressure ]

6 mm Hg ( 20 °C)
[FEMA ]

2935
[refractive index ]

n20/D 1.393(lit.)
[Fp ]

86 °F
[storage temp. ]

Store below +30°C.
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. sweet fruity estery ether pineapple ripe
[biological source]

synthetic
[Odor Threshold]

0.0062ppm
[Odor Type]

fruity
[Water Solubility ]

1.56g/L(temperature not stated)
[JECFA Number]

307
[Henry's Law Constant]

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

PERFUMING
[InChI]

1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3
[InChIKey]

FFOPEPMHKILNIT-UHFFFAOYSA-N
[SMILES]

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

2.12
[Uses]

Solvent for cellulose ethers, flavoring.
[CAS DataBase Reference]

638-11-9(CAS DataBase Reference)
[EPA Substance Registry System]

Butanoic acid, 1-methylethyl ester (638-11-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2405 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29156000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

p-Toluenesulfonic acid
[Preparation Products]

2-Iodopropane-->Isopropyl acetate-->(R)-(-)-1-INDANOL
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 BUTYRATE(638-11-9) 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 butyrate has a pleasant odor reminiscent of butyric acid. May be synthesized from butyric acid and propylene in presence of concentrated H2S04 at 125°C in sealed tube; also from butyric acid and isopropyl alcohol in the presence of HCL or p-toluenesulfonic acid.
[Chemical Properties]

Colorless liquid.
[Chemical Properties]

Isopropyl butyrate has a pleasant odor reminiscent of butyric acid.
[Occurrence]

Reported found in strawberry, cranberry, kumquat peel oil, apricot, papaya, blue cheeses, sparkling wine, passion fruit and spineless monkey orange
[Definition]

ChEBI: Isopropyl butyrate is a fatty acid ester and an isopropyl ester.
[Preparation]

From butyric acid and propylene in presence of concentrated H2SO4 at 125°C in sealed tube; also from butyric acid and isopropyl alcohol in the presence of HCl or p-toluenesulfonic acid
[Aroma threshold values]

Detection: 43 to 86 ppb
[Taste threshold values]

Taste characteristics at 30 ppm: sweet, fruity, estry, green and ripe
[Biochem/physiol Actions]

Taste at 20 ppm
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

isopropyl n-butyrate(638-11-9).msds
Spectrum DetailBack Directory
[Spectrum Detail]

ISOPROPYL BUTYRATE(638-11-9)MS
ISOPROPYL BUTYRATE(638-11-9)1HNMR
ISOPROPYL BUTYRATE(638-11-9)13CNMR
ISOPROPYL BUTYRATE(638-11-9)IR1
ISOPROPYL BUTYRATE(638-11-9)IR2
ISOPROPYL BUTYRATE(638-11-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

638-11-9(sigmaaldrich)
[TCI AMERICA]

Isopropyl Butyrate,>99.0%(GC)(638-11-9)
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