Methyl 2-methylbutyrate
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Methyl 2-methylbutyrate
structure -
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CAS No:
868-57-5
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Formula:
C6H12O2
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Chemical Name:
Methyl 2-methylbutyrate
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Synonyms:
2-METHYLBUTYRIC ACID METHYL ESTER;METHYL METHYLETHYLACETATE;METHYL DL-2-METHYLBUTYRATE;METHYL-2-METHYLBUTANOATE;METHYL 2-METHYLBUTYRATE;DL-METHYLBUTYRIC ACID METHYL ESTER;DL-2-METHYLBUTYRIC ACID METHYL ESTER;METHYL 2-METHYLBUTYRATE 98+% FCC
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CAS No:
Description
Methyl-2-methylbutyrate has a sweet, fruity, apple-like odor and an apple-like taste at low concentrations.
almost colourless liquid/sweet, fruity, apple-like odour
Methyl (S)-2-Methylbutanoate is a fatty acid ester.
Methyl 2-methylbutyrate is an important odor-active constituent of pineapple, apple, cantaloupe, cucumber and strawberries.
Methyl 2-methylbutyrate Basic Attributes
116.16
116.16
1720409
212-778-0
TSCA listed
DTXSID1052587
Colorless to Almost colorless
29159000
Characteristics
26.3
1.5
Liquid
0.88 g/mL at 25 °C (lit.)
-91°C (estimate)
115 °C (lit.)
90 °F
n20/D1.393(lit.)
soluble in alcohol, most fixed oils; insoluble in water
at 10.00 % in dipropylene glycol. ethereal estery fruity tutti frutti green apple lily of the valley powdery fatty
Sealed in dry,Room Temperature
Safety Information
II
3
UN 3272 3/PG 3
2
10-11
16-23-33-29-7/9
P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, P501
10-11
UN 3272 3/PG 3
|Danger|H225 (97.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1668 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl 2-methylbutyrate Use and Manufacturing
From isobutylene, carbon monoxide and menthol (or isobutylene, carbon monoxide and acid catalyst) under pressure to prepare mixed esters containing methyl 2-methylbutyrate, and then fractional distillation.
GB 2760-1996 stipulates the allowed use of edible spices. Mainly used to prepare apple, tropical fruit, rum flavors and enhance the flavor of fruit flavors.
DL-2-Methylbutyric Acid Methyl Ester is a volatile compound found in pineapples.Methyl 2-methylbutyrate, only recerqly appearing on the market, finds limited use in perfumery and flavor compositions in the tedious work of reconstructing certain essential oils, mainly flavor oils. Its tremendous volatility and "lift" combined with effect of fresh greenness on a fruity base may give very attractive and natural aroma to the important topnotes of edible essential oils. It is also used as a trace component of various fruit flavors. Concentration varies from 5 to 10 ppm in the finished product.
Butanoic acid, 2-methyl-, methyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:116.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:78.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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