ChemicalBook--->CAS DataBase List--->2050-01-3

2050-01-3

2050-01-3 Structure

2050-01-3 Structure
IdentificationMore
[Name]

Isopentyl isobutyrate
[CAS]

2050-01-3
[Synonyms]

3-METHYLBUTYL 2-METHYLPROPANOATE
FEMA 3507
ISOAMYL ISOBUTYRATE
ISOBUTYRIC ACID ISOAMYL ESTER
ISOPENTYL-2-METHYL PROPANOATE
ISOPENTYL ISOBUTYRATE
2-methyl-propanoicaci3-methylbutylester
3-methylbutyl isobutyrate
isoamyl isobutanoate
Isoamyl2-methylpropanoate
Isobutyric acid, isopentyl ester
Isopentyl isobutanoate
Propanoic acid, 2-methyl-, 3-methylbutyl ester
Propanoicacid,2-methyl-,3-methylbutylester
ISOAMYL ISOBUTYRATE 98+%
ISOAMYL ISOBUTYRATE 98+% NATURAL
3-Methylbutyl 2-methylpropionate
ISOAMYL ISOBUTYRATE, NATURAL
Isoamyl isoblutyrate
[EINECS(EC#)]

218-078-1
[Molecular Formula]

C9H18O2
[MDL Number]

MFCD00053719
[Molecular Weight]

158.24
[MOL File]

2050-01-3.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid with a fruity smell
[Melting point ]

-73°C (estimate)
[Boiling point ]

169-171 °C(lit.)
[density ]

0.856 g/mL at 25 °C(lit.)
[FEMA ]

3507
[refractive index ]

n20/D 1.406(lit.)
[Fp ]

129 °F
[storage temp. ]

Store at room temperature
[Water Solubility ]

Insoluble in water
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. fruity ethereal tropical green grape cherry unripe banana apple cocoa
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

49
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
[InChIKey]

VFTGLSWXJMRZNB-UHFFFAOYSA-N
[SMILES]

CC(C)CCOC(=O)C(C)C
[LogP]

3.17
[CAS DataBase Reference]

2050-01-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Iso-amyl iso-butyrate(2050-01-3)
[EPA Substance Registry System]

2050-01-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P240-P241-P280a-P303+P361+P353-P501a
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

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

UN 2620 3/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29159000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

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

2-Methyl-1-propanol-->3-Methyl-1-butanol-->MANGANESE (II) OXIDE
[Preparation Products]

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

3-Methylbutyl 2-methylpropanoate(2050-01-3).msds
Hazard InformationBack Directory
[Chemical Properties]

3-Methylbutyl-2-methylpropionate has a fruity odor with an undertone reminiscent of apricot and pineapple.
[Chemical Properties]

colourless liquid with a fruity smell
[Occurrence]

Reported found in banana, feyoa fruit (Feijoa sellowiana), grapes, melon, papaya, corn oil, beer, hop oil, whiskies, white wine, honey, jackfruit, cherimoya and Roman chamomile oil.
[Uses]

Finds limited use in perfumery as a modifier for Amyl phenylacetate and other heavy esters, or as a trace component topnote item. Extensively used in flavor compositions for introduction of light, fruity notes: Apple, Apricot, Banana, Berry, Peach, etc.
[Definition]

ChEBI: A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid.
[Preparation]

By passing vapors of isobutyl alcohol and isoamyl alcohol over an Ag-activated Cu-MnO catalyst.
[Aroma threshold values]

Detection: 14 ppb
[Taste threshold values]

Taste characteristics at 40 ppm: sweet, fruity, green and fatty with a berry nuance.
Spectrum DetailBack Directory
[Spectrum Detail]

Isopentyl isobutyrate(2050-01-3)MS
Isopentyl isobutyrate(2050-01-3)1HNMR
Isopentyl isobutyrate(2050-01-3)13CNMR
Isopentyl isobutyrate(2050-01-3)IR1
Isopentyl isobutyrate(2050-01-3)IR2
Isopentyl isobutyrate(2050-01-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Isopentyl isobutyrate, 98%(2050-01-3)
[Sigma Aldrich]

2050-01-3(sigmaaldrich)
[TCI AMERICA]

Isoamyl Isobutyrate,>98.0%(GC)(2050-01-3)
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