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68890-66-4

68890-66-4 Structure

68890-66-4 Structure
IdentificationMore
[Name]

Piroctone olamine
[CAS]

68890-66-4
[Synonyms]

1-hydroxy-4-methyl-6(2,4,4-trimethylpentyl)2-pyridon monoethanolamine salt
OCTOPIROX
PIROCTONE OLAMINE
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1h)-pyridinoncompd.with2-aminoethanol(1:1)
2(1H)-Pyridinone,1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-,compd.with2-aminoethanol(1:1)
4,4-trimethylpentyl)-1-hydroxy-4-methyl-6-(compd.with2-2(1h)-pyridinon
octopiroxolamine
PIROCTONE OLEAMINE
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one, compound with 2-aminoethanol (1:1)
Piroctone olamine (OCTO)
Piorctone Olamine
1-HYDROXY-4-METHYL-6-(2,4,4-TRIMETHYLPENTYL)2(1H)-PYRIDONE.
1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-on, Verbindung mit 2-Aminoethanol (1:1)
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridone·2-aminoethanol
2-Aminoethanol/1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridone,(1:1)
[EINECS(EC#)]

272-574-2
[Molecular Formula]

C16H30N2O3
[MDL Number]

MFCD01690792
[Molecular Weight]

298.42
[MOL File]

68890-66-4.mol
Questions And AnswerBack Directory
[Description]

Piroctone olamine (INN; also known as piroctone ethanolamine; brand name Octopirox) is a compound sometimes used in the treatment of fungal infections.Piroctone olamine is the ethanolamine salt of the hydroxamic acid derivative piroctone.Piroctone olamine
[Appearance]

White or slightly yellow crystalline powder.

[Solubility]

Freely soluble in 10% ethanol in water; soluble in solution containing surfactants in water or in 1%-10% ethanol; slightly soluble in water and in oil. The solubility in water varies by pH value, and is a litter larger in neutral or weak basic solution than in acid solution.

[Toxicity]

Acute toxicity : Acute oral LD50 –rat 8100mg/kg, practically nontoxic.

Subchronic toxicity : NOEL: 100mg//kg/d (rat, orally, 3 months).

Chronic toxicity and carcinogencity : Negative.

Mutagenicity : Negative.

Irritation to skin and eye : Very low.

Chemical PropertiesBack Directory
[Melting point ]

134.0 to 138.0 °C
[Boiling point ]

135-235℃[at 101 325 Pa]
[density ]

1.1[at 20℃]
[vapor pressure ]

0-0Pa at 20-25℃
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Chloroform (Slightly, Sonicated), Methanol (Slightly)
[form ]

neat
[pka]

5.9-7.4[at 20 ℃]
[color ]

White to Off-White
[Water Solubility ]

400-50000mg/L at 20-25℃
[Merck ]

14,7502
[InChI]

InChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11,17H,7,9H2,1-5H3;4H,1-3H2
[InChIKey]

BTSZTGGZJQFALU-UHFFFAOYSA-N
[SMILES]

C(N)CO.C(C1=CC(C)=CC(=O)N1O)C(C)CC(C)(C)C
[LogP]

1.05-3.86 at 20-25℃
[CAS DataBase Reference]

68890-66-4(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

UU7786150
[HS Code ]

2933399090
Hazard InformationBack Directory
[Uses]

Piroctone olamine is used in combination with other substances as a part of shampoo effectively reduced the amount of dandruff and, at the same time, provided hair conditioning advantages. Recently was shown, that piroctone olamine could induce apoptosis and possessed a significant in vivo effect against myeloma.

[Definition]

ChEBI: An organoammonium salt that is the ethanolamine salt of piroctone.
[Brand name]

Octopirox (Hoechst AG, Germany).
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