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2-Methylbutyl 2-methylbutyrate

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CAS:2445-78-5
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CAS:2445-78-5
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CAS:2445-78-5
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2-Methylbutyl 2-methylbutyrate Basic information
Product Name:2-Methylbutyl 2-methylbutyrate
Synonyms:2-methyl-butanoicaci2-methylbutylester;DL-2-METHYLBUTYRIC ACID 2-METHYLBUTYL ESTER;FEMA 3359;Butanoic acid, 2-methyl-, 2-methylbutyl ester;Butanoicacid,2-methyl-,2-methylbutylester;Butyric acid, 2-methyl-, 2-methylbutyl ester;METHYL-2-BUTYL-2-METHYLBUTYRATE;Methylbutyricacidmethylbutylester
CAS:2445-78-5
MF:C10H20O2
MW:172.26
EINECS:219-497-2
Product Categories:Alphabetical Listings;Flavors and Fragrances;M-N
Mol File:2445-78-5.mol
2-Methylbutyl 2-methylbutyrate Structure
2-Methylbutyl 2-methylbutyrate Chemical Properties
Boiling point 70-72 °C11 mm Hg(lit.)
density 0.855 g/mL at 25 °C(lit.)
FEMA 3359 | 2-METHYLBUTYL 2-METHYLBUTYRATE
refractive index n20/D 1.411-1.417(lit.)
Fp 153 °F
form clear liquid
color Colorless to Light yellow
Odorat 10.00 % in dipropylene glycol. sweet fruity ester berry green waxy apple
Odor Typefruity
JECFA Number212
LogP3.53
CAS DataBase Reference2445-78-5(CAS DataBase Reference)
NIST Chemistry ReferenceButanoic acid, 2-methyl-, 2-methylbutyl ester(2445-78-5)
EPA Substance Registry System2-Methylbutyl 2-methylbutyrate (2445-78-5)
Safety Information
Hazard Codes N
Risk Statements 51/53
Safety Statements 61
RIDADR UN 3082 9/PG 3
WGK Germany 3
HS Code 29156000
MSDS Information
ProviderLanguage
SigmaAldrich English
2-Methylbutyl 2-methylbutyrate Usage And Synthesis
Description2-Methylbutyl 2-methylbutyrate is like fruit, berry, and apple. May be prepared by esterification of 2-methylbutanoic acid with 2-methyl-1-butanol; by condensation of isobutyraldehyde at 120°C.
Chemical Properties2-Methylbutyl-2-methyl butyrate has a fruity, berry, apple like aroma.
OccurrenceReported found as a component in the essential oil of hops (Humulus lupulus); also as the odorous component in Vaccinium vitis-idaea and in cocoa beans. Also reported found in apple, apricot, feyoa fruit (Feijoa sellowiana), melon, peppermint oil, spearmint oil, filberts, lovage leaf, myrtle leaf and berry and Roman chamomile oil
DefinitionChEBI: 2-Methylbutyl 2-methylbutanoate is a fatty acid ester.
PreparationBy esterification of 2-methylbutanoic acid with 2-methyl-1-butanol; by condensation of isobutyraldehyde at 120°C
Taste threshold valuesTaste characteristics at 30 ppm: sweet, fruity, pineapple character, estery with green, waxy and woody nuances
Synthesis Reference(s)The Journal of Organic Chemistry, 52, p. 4319, 1987 DOI: 10.1021/jo00228a032
2-Methylbutyl 2-methylbutyrate Preparation Products And Raw materials
Raw materialsIsobutyraldehyde-->2-Methyl butyric acid-->2-Methyl-1-butanol
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