12-Hydroxydodecanoic acid
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12-Hydroxydodecanoic acid
structure -
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CAS No:
505-95-3
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Formula:
C12H24O3
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Chemical Name:
12-Hydroxydodecanoic acid
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Synonyms:
Dodecanoic acid,12-hydroxy-;12-Hydroxydodecanoic acid;12-Hydroxylauric acid;ω-Hydroxydodecanoic acid;ω-Hydroxylauric acid;NSC 159293;NSC 664211
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CAS No:
Description
white to off-white powder
Solid
12-hydroxylauric acid is a medium-chain fatty acid that is the 12-hydroxylated derivative of lauric acid. It has a role as a human metabolite. It is an omega-hydroxy fatty acid and a medium-chain fatty acid. It derives from a dodecanoic acid. It is a conjugate acid of a 12-hydroxylaurate.
12-Hydroxydodecanoic acid Basic Attributes
216.32
216.32
208-025-0
SUH3LR2K9D
664211|159293
DTXSID90198521
2918199090
Characteristics
57.5
3.6
Solid
0.973 g/cm3 @ Temp: 20 °C
83-84 °C
102-103 °C @ Press: 0.5 Torr
185.2ºC
1.467
278 mg/L @ 25 °C (est)
160.3 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|152.6 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|152.7 Ų [M-H]-
Safety Information
NONH for all modes of transport
3
22-24/25
Stable. Incompatible with bases, reducing agents and oxidizing agents. Combustible. May cause dust explosion when mixed with air.
Drug Information
12-Hydroxylauric acid is a known human metabolite of lauric acid.
12-hydroxydodecanoic acid
12-Hydroxydodecanoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Computed Properties
Molecular Weight:216.32
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:11
Exact Mass:216.17254462
Monoisotopic Mass:216.17254462
Topological Polar Surface Area:57.5
Heavy Atom Count:15
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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