Mesaconic acid
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Mesaconic acid
structure -
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CAS No:
498-24-8
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Formula:
C5H6O4
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Chemical Name:
Mesaconic acid
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Synonyms:
2-Butenedioic acid,2-methyl-,(2E)-;Mesaconic acid;2-Butenedioic acid,2-methyl-,(E)-;(2E)-2-Methyl-2-butenedioic acid;trans-2-Methyl-2-butenedioic acid;Methylfumaric acid;trans-1-Propene-1,2-dicarboxylic acid;2-Methylfumaric acid;Citronic acid;(E)-Citraconic acid;NSC 65438
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CAS No:
Description
ChEBI: A dicarboxylic acid consisting of fumaric acid having a methyl substituent at the 2-position.
Solid
Mesaconic acid is a dicarboxylic acid consisting of fumaric acid having a methyl substituent at the 2-position. It has a role as a human metabolite and a plant metabolite. It is a dicarboxylic acid and a lipid. It derives from a fumaric acid. It is a conjugate acid of a mesaconate(2-).
Characteristics
74.60000
0.10190
Solid
1.387 g/cm3
204.5 °C
bp 250° (decompn)
171.5ºC
1.514
26.3g/L(18 ºC)
2-8°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
OX5075000
Xi
P261-P305 + P351 + P338
H315-H319-H335
Drug Information
Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic Agents.)
(E)-2-methyl-2-butenedioic acid
Mesaconic acid Use and Manufacturing
Evaporate a mixture of 100g (0.89mol) methyl maleic anhydride, 100ml water and 150ml dilute nitric acid until red smoke appears, cool the solution, filter out methyl fumaric acid, and continue to concentrate and filter the mother liquor to obtain a small amount product. The obtained crude methyl fumaric acid is used for recrystallization, and the product is 50-60g, and the yield is 43%-52%.
Used in organic synthesis.
2-Butenedioic acid, 2-methyl-, (2E)-: ACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Computed Properties
Molecular Weight:130.10
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:130.02660867
Monoisotopic Mass:130.02660867
Topological Polar Surface Area:74.6
Heavy Atom Count:9
Complexity:168
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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