Tridecanedioic acid
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Tridecanedioic acid
structure -
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CAS No:
505-52-2
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Formula:
C13H24O4
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Chemical Name:
Tridecanedioic acid
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Synonyms:
Tridecanedioic acid;Brassylic acid;1,13-Tridecanedioic acid;1,11-Undecanedicarboxylic acid;α,ω-Tridecanedioic acid;NSC 9498;ω-Carboxylauric acid;1386948-32-8
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CAS No:
Description
white powder
Solid
Tridecanedioic acid is an alpha,omega-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11. It has a role as a metabolite.
Characteristics
74.6
3.7
Solid
1.1±0.1 g/cm3
111 °C
215-217 °C @ Press: 2 Torr
223.5±17.7 °C
1.475
H2O: Insoluble
Store below +30°C.
Safety Information
NONH for all modes of transport
3
36/37/38
26-37/39
Xi
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
Tridecanedioic acid Use and Manufacturing
The U.S. Emery Company used special rapeseed oil to extract erucic acid, which was then decomposed by ozone oxidation. Japanese mining companies use self-produced straight-chain alkanes as raw materials for fermentation production. In addition, in addition to linear alkanes, the raw materials can also be synthesized from linear alkenes, saturated or unsaturated fatty acids, hexadecanoates and the like.
Used in the production of high-grade flavors, fragrances and artificial musk-T, hot melt adhesives and engineering plastics, high-grade food packaging materials, and the main raw material of high-grade nylon 1313
Tridecanedioic acid: ACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Computed Properties
Molecular Weight:244.33
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:244.16745924
Monoisotopic Mass:244.16745924
Topological Polar Surface Area:74.6
Heavy Atom Count:17
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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