2-Butenoic acid, 3-methyl-, 2-methylbutyl ester
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2-Butenoic acid, 3-methyl-, 2-methylbutyl ester
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CAS No:
97890-13-6
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Formula:
C10H18O2
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Chemical Name:
2-Butenoic acid, 3-methyl-, 2-methylbutyl ester
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Synonyms:
2-Butenoic acid,3-methyl-,2-methylbutyl ester;2-Methylbutyl 3-methylbut-2-enoate
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CAS No:
Description
Colourless liquid; Floral fruity aroma
2-Methylbutyl 3-methyl-2-butenoate is a fatty acid ester.
Characteristics
26.3 Ų
0.881-0.891
1.451-1.461
Sparingly soluble in water; soluble in triacetin and propylene glycol|Soluble (in ethanol)
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1374 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Butenoic acid, 3-methyl-, 2-methylbutyl ester Use and Manufacturing
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:170.25
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:167
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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