ChemicalBook--->CAS DataBase List--->644-49-5

644-49-5

644-49-5 Structure

644-49-5 Structure
IdentificationMore
[Name]

ISOBUTYRIC ACID N-PROPYL ESTER
[CAS]

644-49-5
[Synonyms]

FEMA 2936
ISOBUTYRIC ACID N-PROPYL ESTER
N-PROPYL ISOBUTYRATE
PROPYL 2-METHYLPROPANOATE
PROPYL ISOBUTYRATE
2-methylpropanoicacidpropylester
2-methyl-propanoicacipropylester
Isobutyric acid, propyl ester
isobutyricacidpropylester
n-Propyl 2-methylpropanoate
Propanoic acid, 2-methyl-, propyl ester
Propanoicacid,2-methyl-,propylester
PROPYL ISOBUTYRATE >=97%
[EINECS(EC#)]

211-417-4
[Molecular Formula]

C7H14O2
[MDL Number]

MFCD00053781
[Molecular Weight]

130.18
[MOL File]

644-49-5.mol
Chemical PropertiesBack Directory
[Melting point ]

-95.2°C (estimate)
[Boiling point ]

134 °C(lit.)
[density ]

0.863 g/mL at 25 °C(lit.)
[FEMA ]

2936
[refractive index ]

n20/D 1.395(lit.)
[Fp ]

80 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. sweet ripe fruity tropical melon berry
[Odor Type]

fruity
[JECFA Number]

187
[LogP]

2.12
[CAS DataBase Reference]

644-49-5(CAS DataBase Reference)
[NIST Chemistry Reference]

N-Propyl iso-butyrate(644-49-5)
Safety DataBack Directory
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

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

UN 3272 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29156000
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

propyl-iso-butyrate(644-49-5).msds
Hazard InformationBack Directory
[Chemical Properties]

Propyl isobutyrate has a pineapple-like odor and a corresponding sweet flavor.
[Occurrence]

Reported found in several natural products including apple, olive, spineless monkey orange, Gruyere de Comte cheese, honey, hop oil, olives and Roman chamomile oil.
[Definition]

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

From propyl alcohol and isobutyric acid in benzene solution in the presence of concentrated H2SO4.
[Aroma threshold values]

Detection: 0.086 to 0.43 ppb
[Taste threshold values]

Taste characteristics at 5 to 15 ppm: sweet, fruity, with ripe, tropical, tutti-fruiti and citrus melon nuances.
Spectrum DetailBack Directory
[Spectrum Detail]

ISOBUTYRIC ACID N-PROPYL ESTER(644-49-5)MS
ISOBUTYRIC ACID N-PROPYL ESTER(644-49-5)1HNMR
ISOBUTYRIC ACID N-PROPYL ESTER(644-49-5)13CNMR
ISOBUTYRIC ACID N-PROPYL ESTER(644-49-5)IR1
ISOBUTYRIC ACID N-PROPYL ESTER(644-49-5)IR2
ISOBUTYRIC ACID N-PROPYL ESTER(644-49-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

644-49-5(sigmaaldrich)
[TCI AMERICA]

Propyl Isobutyrate,>97.0%(GC)(644-49-5)
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