2-Methyl-4-pentenoic acid
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2-Methyl-4-pentenoic acid
structure -
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CAS No:
1575-74-2
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Formula:
C6H10O2
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Chemical Name:
2-Methyl-4-pentenoic acid
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Synonyms:
4-Pentenoic acid,2-methyl-;2-Methyl-4-pentenoic acid;(±)-2-Methyl-4-pentenoic acid;α-Methyl-4-pentenoic acid;53729-46-7
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CAS No:
Description
2-Methyl-4-pentenoic Acid is an organic acid.
2-Methyl-4-pentenoic acid is a branched-chain fatty acid.
Characteristics
37.3
1.34
0.956 g/cm3 @ Temp: 16 °C
17.3°C (estimate)
188-189 °C @ Press: 683 Torr
210 °F
1.441
Slightly soluble in water
Safety Information
III
8
UN 3265 8/PG 2
3
22-34
26-36/37/39-45
C
P280-P305 + P351 + P338-P310
H302-H314
|Danger|H302 (68.82%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 157 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Methyl-4-pentenoic acid Use and Manufacturing
4-Pentenoic acid, 2-methyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Flavoring Agents
Computed Properties
Molecular Weight:114.14
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:96.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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