ChemicalBook--->CAS DataBase List--->589-59-3

589-59-3

589-59-3 Structure

589-59-3 Structure
IdentificationMore
[Name]

Isobutyl isovalerate
[CAS]

589-59-3
[Synonyms]

2-METHYL PROPYL-3-METHYL BUTYRATE
FEMA 3369
ISOBUTYL 3-METHYLBUTANOATE
ISOBUTYL ISOPENTANOATE
ISOBUTYL ISOVALERATE
ISOVALERIC ACID ISOBUTYL ESTER
METHYL PROPYL-3-METHYL BUTYRATE
2-Methylpropyl 3-methylbutanoate
2-Methylpropyl isovalerate
2-Methylpropyl-3-methylbutanoate
2-methylpropyl3-methylbutanoate
2-methylpropylisovalerate
3-methyl-butanoicaci2-methylpropylester
3-methylbutanoicacid2-methylpropylester
3-methylbutanoicacidisobutylester
3-methyl-butyricacidisobutylester
Butanoic acid, 3-methyl-, 2-methylpropyl ester
Butanoicacid,3-methyl-,2-methylpropylester
Isobutyl 3-methylpropanoate
ISOVALERIC ACID ISOBUTYL ESTER 98+%
[EINECS(EC#)]

209-653-8
[Molecular Formula]

C9H18O2
[MDL Number]

MFCD00048349
[Molecular Weight]

158.24
[MOL File]

589-59-3.mol
Chemical PropertiesBack Directory
[Melting point ]

-92.8°C (estimate)
[Boiling point ]

168 °C
[density ]

0.853 g/mL at 20 °C(lit.)
[FEMA ]

3369
[refractive index ]

n20/D 1.406
[Fp ]

57 °C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. sweet fruity apple raspberry green banana
[Odor Threshold]

0.0052ppm
[Odor Type]

fruity
[JECFA Number]

203
[Merck ]

5146
[LogP]

3.17
[CAS DataBase Reference]

589-59-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Iso-butyl isovalerate(589-59-3)
[EPA Substance Registry System]

589-59-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 1993C 3 / PGIII
[WGK Germany ]

2
[RTECS ]

NY1506000
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

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

2-Methylpropyl 3-methylbutanoate(589-59-3).msds
Hazard InformationBack Directory
[Description]

2-Methylpropy 1-3-methylbutyrate has an aroma reminiscent of apple/raspberry. May be prepared by oxidation of the corresponding ketone.
[Chemical Properties]

2-Methylpropyl-3-methylbutyrate has an aroma reminiscent of apple and raspberry
[Occurrence]

Reported found in the oil from fruits of Xanthoxylum piperitum and in the oil of Elsholtzia ciliata. Also reported found in banana, white wine, fig, jackfruit, lamb’s lettuce and smaller galanga (Alpinium officinarum Hance).
[Uses]

Flavoring and manufacture of fruit essences.
[Definition]

ChEBI: 2-Methylpropyl 3-methylbutanoate is a fatty acid ester.
[Preparation]

By oxidation of the corresponding ketone.
[Taste threshold values]

Taste characteristics at 20 ppm: sweet, green, fruity, banana with fresh nuances.
Spectrum DetailBack Directory
[Spectrum Detail]

Isobutyl isovalerate(589-59-3)MS
Isobutyl isovalerate(589-59-3)13CNMR
Isobutyl isovalerate(589-59-3)IR1
Isobutyl isovalerate(589-59-3)IR2
Isobutyl isovalerate(589-59-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

589-59-3(sigmaaldrich)
[TCI AMERICA]

Isovaleric Acid Isobutyl Ester,>98.0%(GC)(589-59-3)
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