trans-2-Pentenoic acid
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trans-2-Pentenoic acid
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CAS No:
13991-37-2
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Formula:
C5H8O2
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Chemical Name:
trans-2-Pentenoic acid
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Synonyms:
2-Pentenoic acid,(2E)-;2-Pentenoic acid,(E)-;(2E)-2-Pentenoic acid;trans-2-Pentenoic acid;(E)-2-Pentenoic acid;(E)-Pent-2-enoic acid;(2E)-Pent-2-enoic acid
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CAS No:
Description
Colourless liquid; Sour caramellic aroma
Pent-2-enoic acid is a pentenoic acid having the double bond at position 2. It is a pentenoic acid and an alpha,beta-unsaturated monocarboxylic acid.
Characteristics
37.30000
1.03720
clear, colorless clear liquid.
0.99
192-194 °C
174-175 °C
102ºC
1.452
62.9 mg/mL at 20 °C|Slightly soluble in water; soluble in non-polar solvents|Soluble (in ethanol)
0.107mmHg at 25°C
Safety Information
III
8
UN 3265
3
R22; R34
26-36/37/39-45
SB2750000
C
|Danger|H302 (88.64%): 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 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
trans-2-Pentenoic acid Use and Manufacturing
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:100.12
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:100.052429494
Monoisotopic Mass:100.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:84.1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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