2-Methyl-3-pentenoic acid
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2-Methyl-3-pentenoic acid
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CAS No:
37674-63-8
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Formula:
C6H10O2
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Chemical Name:
2-Methyl-3-pentenoic acid
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Synonyms:
3-Pentenoic acid,2-methyl-;2-Methyl-3-pentenoic acid;Iso Fragarone;2-Methylpent-3-en-1-oic acid
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CAS No:
Characteristics
37.3 Ų
0.9660
17.3°C (estimate)
199 °C
1.4402
slightly soluble in water, soluble in alcohol and most fixed oils
4.52±0.10
Safety Information
|Danger|H314 (99.27%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 1373 companies from 3 notifications to the ECHA C&L Inventory.
2-Methyl-3-pentenoic acid Use and Manufacturing
3-Pentenoic acid, 2-methyl-: ACTIVE
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:114.14
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:105
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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