3-Methylbutyl 2-methylbutanoate
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3-Methylbutyl 2-methylbutanoate
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CAS No:
27625-35-0
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Formula:
C10H20O2
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Chemical Name:
3-Methylbutyl 2-methylbutanoate
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Synonyms:
Butanoic acid,2-methyl-,3-methylbutyl ester;Isoamyl 2-methylbutyrate;Isopentyl 2-methylbutanoate;3-Methylbutyl 2-methylbutyrate;3-Methylbutyl 2-methylbutanoate;Isoamyl 2-methylbutanoate;Isoamyl α-methylbutyrate;Isopentyl 2-methylbutyrate
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CAS No:
Description
colourless liquid with a fruity odour
3-Methylbutyl 2-methylbutanoate is a fatty acid ester.
Characteristics
26.30000
2.62180
Colorless Liquid
0.857g/mL
41ºC
143ºF
1.42
44.59 mg/L @ 25 °C (est)|soluble in ethanol and oil, insoluble in water
0.713mmHg at 25°C
Safety Information
R36/38
S26; S36
Xi
|Warning|H315 (97.62%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 159 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Methylbutyl 2-methylbutanoate Use and Manufacturing
Butanoic acid, 2-methyl-, 3-methylbutyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:172.26
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:130
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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