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ChemicalBook--->CAS DataBase List--->2035-99-6

2035-99-6

2035-99-6 Structure

2035-99-6 Structure
IdentificationMore
[Name]

FEMA 2080
[CAS]

2035-99-6
[Synonyms]

3-METHYLBUTYL OCTANOATE
FEMA 2080
ISOAMYL CAPRYLATE
ISOAMYL N-OCTANOATE
ISOAMYL OCTANOATE
ISOPENTYL N-OCTANOATE
ISOPENTYL OCTANOATE
N-CAPRYLIC ACID ISOAMYL ESTER
N-OCTANOIC ACID ISOAMYL ESTER
Octanoic acid, isoamyl ester
Octanoic acid, isopentyl ester
Octanoicacid,3-methylbutylester
octanoicacid,isopentylester
ISOAMYL OCTANOATE 98+% NATURAL
ISOAMYL OCTANOATE 98+% FCC
Isopentyl caprylate
ISOAMYLCAPRYLAT
Isopentyloctanoat
ISOAMYL CAPRYLATE FCC
ISOAMYL CAPRYLATE, NATURAL
[EINECS(EC#)]

218-004-8
[Molecular Formula]

C13H26O2
[MDL Number]

MFCD00048917
[Molecular Weight]

214.34
[MOL File]

2035-99-6.mol
Chemical PropertiesBack Directory
[Melting point ]

-34.8°C (estimate)
[Boiling point ]

267-268 °C
[density ]

0.861 g/mL at 25 °C(lit.)
[FEMA ]

2080
[refractive index ]

n20/D 1.426(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[Water Solubility ]

Soluble in water
[form ]

neat
[color ]

Colorless to Light yellow
[Odor]

at 100.00 %. sweet oily fruity green soapy pineapple coconut
[Odor Type]

fruity
[JECFA Number]

47
[LogP]

5.31
[CAS DataBase Reference]

2035-99-6(CAS DataBase Reference)
[EPA Substance Registry System]

Octanoic acid, 3-methylbutyl ester (2035-99-6)
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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

RH0770000
[HS Code ]

29156000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

p-Toluenesulfonic acid-->3-Methyl-1-butanol-->Octanoic acid
Hazard InformationBack Directory
[Description]

Isoamyl octanoate has a fruity odor. May be prepared by esterification of octanoic acid with commercial isoamyl alcohols, which vary in isomer distribution according to source.
[Chemical Properties]

Colorless liquid
[Chemical Properties]

Isoamyl octanoate has a fruity odor
[Occurrence]

Reported found in wine, banana, strawberry, apple, grape, cheeses, beer, cognac, rum, whiskies, cider, sherry, grape wines, plum brandy, mango, pear and apple brandy, strawberry wine, sea buckthorn (Hippophae rhamnoides L.) and mastic gum leaf and fruit oil.
[Definition]

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

By esterification of octanoic acid with commercial isoamyl alcohols, which vary in isomer distribution according to source
[Production Methods]

Produced by direct estenfication of the isoAmyl alcohol with Octanoic acid (n-Caprylic acid) under azeotropic conditions.
[Taste threshold values]

Taste characteristics at 20 ppm: sweet, fruity, waxy, pineapple, fruity and green with coconut and cognac nuances.
Questions And AnswerBack Directory
[Aroma]

Peculiar oily-fruity, slightly animal odor reminiscent of Elderflower, with orris undertones. Used in flavor compositions for imitation Chocolate, Fruit (mostly the heavier types), Liqueur and Brandy flavoring, etc. Concentrations are usually traces (a few ppm) up to 7 ppm in the finished consumer product.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2035-99-6(sigmaaldrich)
[TCI AMERICA]

Isoamyl n-Octanoate,>97.0%(GC)(2035-99-6)
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