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505-95-3

505-95-3 Structure

505-95-3 Structure
IdentificationBack Directory
[Name]

12-HYDROXYDODECANOIC ACID
[CAS]

505-95-3
[Synonyms]

12-HYDROXYLAURIC ACID
12-HYDROXYDODECANOIC ACID
Dodecanoic acid, 12-hydroxy-
12-Hydroxydodecanoic acid 97%
[EINECS(EC#)]

208-025-0
[Molecular Formula]

C12H24O3
[MDL Number]

MFCD00002739
[MOL File]

505-95-3.mol
[Molecular Weight]

216.32
Chemical PropertiesBack Directory
[Appearance]

white to off-white powder
[Melting point ]

85-88 °C(lit.)
[Boiling point ]

296.74°C (rough estimate)
[density ]

0.988±0.06 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.4410 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.78±0.10(Predicted)
[color ]

White
[Stability:]

Stable. Incompatible with bases, reducing agents and oxidizing agents. Combustible. May cause dust explosion when mixed with air.
[BRN ]

1238370
[InChI]

1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
[InChIKey]

ZDHCZVWCTKTBRY-UHFFFAOYSA-N
[SMILES]

OCCCCCCCCCCCC(O)=O
[LogP]

2.866 (est)
Hazard InformationBack Directory
[Chemical Properties]

white to off-white powder
[Uses]

12-Hydroxydodecanoic acid was used in the synthesis of high molecular weight poly[(12-hydroxydodecanoate)-co-(12-hydroxystearate)] [poly(12HD-co-12HS)] samples with variable monomer ratios using methyl 12-hydroxystearate.
[Uses]

12-Hydroxylauric Acid is used in the structural and functional characterization of S-nitrosoglutathione reductase from Solanum lycopersicum.
[Definition]

ChEBI: 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 functionally related to a dodecanoic acid. It is a conjugate acid of a 12-hydroxylaurate.
[Synthesis]

In the hydrothermal reactor, terminal chlorinated dodecanoic acid and NaOH solution were added, and the reaction was stopped after hydrothermal alkaline hydrolysis at the specified temperature for a specified time, and the crude product of terminal hyd

[IC 50]

Human Endogenous Metabolite
[Purification Methods]

Crystallise the acid from toluene [Sadowik et al. J Am Chem Soc 108 7789 1986]. [Beilstein 3 III 658.]
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

12-HYDROXYDODECANOIC ACID(505-95-3)1HNMR
12-HYDROXYDODECANOIC ACID(505-95-3)Raman
12-HYDROXYDODECANOIC ACID(505-95-3)IR
12-HYDROXYDODECANOIC ACID(505-95-3)FT-IR
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