Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Hair Care Chemicals  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Others  /  Others
Zinc pyrithione structure
Zinc pyrithione structure

Zinc pyrithione

Iupac Name:zinc;1-oxidopyridin-1-ium-2-thiolate
CAS No.:13463-41-7
Molecular Weight:317.72172
Introduction: Fine beige granules. View more+
1. Names and Identifiers
1.1 Name
Zinc pyrithione
1.2 Synonyms

1-HYDROXY-2-PYRIDINE THIONE, ZN SALT 1-HYDROXYPYRIDINE-2-THIONE ZINC 1-Hydroxypyridine-2-thione zinc salt 2-Mercaptopyridine N-oxide zinc salt 2-Pyridinethiol 1-Oxide Zinc Salt Bis(2-pyridylthio) Zinc 1,1'-Dioxide Bis(2-pyridylthio) Zinc 1,1'-Dioxide 1-Hydroxypyridine-2-thione Zinc Salt 2-Pyridinethiol 1-Oxide Zinc Salt Zinc Pyrithione Bis[(1-oxylatopyridinium)-2-ylthio] zinc Bis[(1-oxylatopyridinium-2-yl)thio]zinc Bis[[(pyridine 1-oxide)-2-yl]thio] zinc salt EINECS 236-671-3 Mercaptopyridine N-oxide zinc salt MFCD00067336 Pyrithione zincique zincpolyanemine

1.3 CAS No.
13463-41-7
1.4 CID
26041
1.5 EINECS(EC#)
236-671-3
1.6 Molecular Formula
C10H8N2O2S2Zn (isomer)
1.7 Inchi
InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
1.8 InChkey
OTPSWLRZXRHDNX-UHFFFAOYSA-L
1.9 Canonical Smiles
C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]
1.10 Isomers Smiles
C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]
2. Properties
3.1 Density
1.782 (25 C)
3.1 Melting point
262
3.1 Boiling point
253.8°C at 760 mmHg
3.1 Flash Point
107.3°C
3.1 Vapour pressure
0.00275mmHg at 25°C
3.1 Precise Quality
315.93200
3.1 PSA
101.52000
3.1 logP
3.34050
3.1 Solubility
Insoluble (<0.1 g/100 mL at 21 ºC)
3.2 Appearance
Off-white to tan powder
3.3 Chemical Properties
Beige granules
3.4 Color/Form
OFF-WHITE, POWDER
3.5 Contact Allergens
Zinc pyrithione is widely used in antidandruffshampoos and is a classic allergen. Concomitant reactionsare expected to both zinc and sodium pyrithione.
3.6 Decomposition
When heated to decomposition it emits very toxic fumes of /nitrogen oxides, sulfur oxides, and zinc oxide/.
3.7 Odor
Mild
3.8 Water Solubility
Insoluble (<0.1 g/100 mL at 21oC)
3.9 Stability
Stable @ 100 C for 120 hr.
3.10 StorageTemp
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
3. Use and Manufacturing
4.1 Fire Hazard
Flash point data for Zinc pyrithione are not available, but Zinc pyrithione is probably combustible.
4.2 General Description
Fine beige granules.
4.3 Safety Profile
Poison by ingestion,skin contact, intraperitoneal, andintravenous routes. Moderately toxic bysubcutaneous route. An experimentalteratogen. Experimental reproductiveeffects. An eye irritant. When heated todecomposition it emits very toxic fumes ofNOx, SOx, and ZnO. Used as an anti-dandruff agent in shampoos. See also ZINCCOMPOUNDS and SULFIDES. Zinc pyrithione Preparation Products And Raw materials Preparation Products
4.4 Usage
Shampoo for dandruff,zinc pyrithione can inhibit Gram positive and negative bacteria and mold growth,Care hair Effectively , delay hair aging ,control white hair and hair loss generation. zinc pyrithion is also used as a cosmetic preservative, oil, paint biocide. Zinc pyrithione has a strong killing power on fungi and bacteria so that it can effectively kill dandruff fungus,playing a role in dandruff .
4. Safety and Handling
5.1 Symbol
GHS05, GHS06, GHS09
5.1 Hazard Codes
T+
5.1 Signal Word
Danger
5.1 Risk Statements
R24/25
5.1 Safety Statements
26-28-36/37/39-45
5.1 Packing Group
III
5.1 Hazard Class
6.1(b)
5.1 Hazard Declaration
H301 + H331-H318-H410
5.1 DisposalMethods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
5.2 RIDADR
HAZARD
5.2 Caution Statement
P261-P273-P280-P301 + P310-P305 + P351 + P338-P311
5.2 Formulations/Preparations
"OMADINE" TRADEMARK FOR A SERIES OF DERIVATIVES OF PYRIDINETHIONE (SUCH AS 1-HYDROXY-2-PYRIDINETHIONE, C5H4NOH(S)) HAVING BACTERICIDE-FUNGICIDE PROPERTIES. USED IN COSMETICS, TEXTILES, CUTTING OILS & COOLANT SYSTEMS, VINYL FILMS & RUBBER PRODUCTS.
...AVAILABLE COMMERCIALLY AS TECHNICAL-GRADE POWDERS (90-95%) & SOLN/DISPERSIONS (40-50%).
FORMULATIONS: BRECK ONE SHAMPOO (1%) (BRECK), DANEX SHAMPO0 (1%) (HERBERT), HEAD & SHOULDERS SHAMPOO (2%) (PROCTER & GAMBLE), ZINCON SHAMPOO (1%) (LEDERLE).
DHS(tm) Zinc Dandruff Shampoo - aids in control of dandruff, seborrheic dermatitus of the scalp /2% zinc pyrithione/
5.3 WGK Germany
3
5.3 RTECS
ZH0950000
5.3 Safety

Hazard Codes:?VeryT+
Risk Statements: 24/25-26-37/38-41?
R24/25: Toxic in contact with skin and if swallowed?
R26: Very Toxic by inhalation?
R37/38: Irritating to respiratory system and skin
R41: Risk of serious damage to the eyes
Safety Statements: 26-28-36/37/39-45?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S28: After contact with skin, wash immediately with plenty of soap-suds
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 2
WGK Germany: 3
RTECS: ZH0950000
HazardClass: 6.1(b)
PackingGroup: III

5.4 Specification

?Zinc pyrithione?(CAS NO.13463-41-7) is also called as?1-Hydroxy-2-pyridine thione, zn salt ; 1-Hydroxypyridine-2-thione zinc ; 1-Hydroxypyridine-2-thione zinc salt ; 2-Pyridinethiol 1-oxide zinc salt ; 2-Mercaptopyridine n-oxide zinc ; 2-Mercaptopyridine n-oxide zinc salt ; 2-Mercaptopyridine-1-oxide zinc salt ; Mercaptopyridine n-oxide zinc salt .

5.5 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 600mg/kg (600mg/kg) ? Clinical Toxicology. Vol. 13, Pg. 1, 1978.
Link to PubMed
dog LDLo intravenous 25mg/kg (25mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toxicology and Applied Pharmacology. Vol. 9, Pg. 269, 1966.
Link to PubMed
guinea pig LD50 oral > 2gm/kg (2000mg/kg) ? Toxicology and Applied Pharmacology. Vol. 7, Pg. 425, 1965.
mammal (species unspecified) LC50 inhalation 140mg/m3/4H (140mg/m3) ? United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0790-1035,
monkey LDLo intravenous 25mg/kg (25mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE Toxicology and Applied Pharmacology. Vol. 9, Pg. 269, 1966.
?
mouse LD50 intraperitoneal 26800ug/kg (26.8mg/kg) ? Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 1067, 1974.
mouse LD50 oral 160mg/kg (160mg/kg) ? Clinical Toxicology. Vol. 13, Pg. 1, 1978.
?
mouse LD50 subcutaneous 730mg/kg (730mg/kg) ? Clinical Toxicology. Vol. 13, Pg. 1, 1978.
?
rabbit LD50 skin 100mg/kg (100mg/kg) ? Yakkyoku. Pharmacy. Vol. 32, Pg. 965, 1981.
rabbit LDLo intravenous 10mg/kg (10mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Toxicology and Applied Pharmacology. Vol. 9, Pg. 269, 1966.
?
rat LC50 inhalation 140mg/m3/4H (140mg/m3) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0527753-1,
rat LD50 oral 177mg/kg (177mg/kg) ? Toxicology Annual. Vol. 3, Pg. 1, 1979.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H318 Causes serious eye damage

H331 Toxic if inhaled

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/\u2026

P391 Collect spillage.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Other Information
6.0 Merck
14,7994
6.1 Product description
Also known as zinc Omadine ,this pyrithione complexes of zinc bromide, in the early 1930s, was already synthesized and used as a topical antifungal or antibacterial agent. At room temperature it is white to yellow crystalline powder. Slight characteristic odor. Insoluble in water. Solubility: water 15mg/kg; pH = 8 Water 35mg/kg; Ethanol 100mg/kg; polyethylene glycol (PEG400) 2000mg/kg. A pH optimum range of 4.5 to 9.5; mass fraction of 10% suspension pH3.6. Zinc pyrithione react with cationic and non-ionic surfactants forming insoluble precipitate, unstable in the light and oxidizer, when at higher temperatures ,it is not stable to acids and bases . It is not compatible with EDTA, non-ionic surfactants make it partially deactivated. When with the presence of heavy metals, chelation or anti-sequestration will occur, and these chelates are insoluble in water.
EEC and GB7916-87 provide that maximum allowable concentration of mass fraction of zinc pyrithione on cosmetics is 0.5%, only for cleaning after using products.General concentration 250~1000mg/kg (active), zinc pyrithione can be used in gels, creams, lotions, talcum powder and anti-dandruff shampoo, deodorant and also for disinfecting articles.
6.2 Uses
Shampoo for dandruff,zinc pyrithione can inhibit Gram positive and negative bacteria and mold growth,Care hair Effectively , delay hair aging ,control white hair and hair loss generation. zinc pyrithion is also used as a cosmetic preservative, oil, paint biocide.
Zinc pyrithione has a strong killing power on fungi and bacteria so that it can effectively kill dandruff fungus,playing a role in dandruff .
6.3 Chemical Properties
Beige granules
6.4 Uses
antibacterial (urinary)
6.5 Uses
zinc pyrithione is a preservative against bacteria, fungi, and yeast. It is unstable in light and in the presence of oxidizing agents. Zinc pyrithione is useful in gels, creams, heavy lotions, and talcum powder.
6.6 Brand name
Head & Shoulders Conditioner (Procter & Gamble).
6.7 General Description
Fine beige granules.
6.8 Air & Water Reactions
Insoluble in water.
6.9 Reactivity Profile
Organometallics, such as Zinc pyrithione, are reactive with many other groups. Incompatible with acids and bases. Organometallics are good reducing agents and therefore incompatible with oxidizing agents. Often reactive with water to generate toxic or flammable gases.
6.10 Fire Hazard
Flash point data for Zinc pyrithione are not available, but Zinc pyrithione is probably combustible.
6.11 Contact allergens
Zinc pyrithione is widely used in antidandruff shampoos and is a classic allergen. Concomitant reactions are expected to both zinc and sodium pyrithione.
6.12 Safety Profile
Poison by ingestion, skin contact, intraperitoneal, and intravenous routes. Moderately toxic by subcutaneous route. An experimental teratogen. Experimental reproductive effects. An eye irritant. When heated to decomposition it emits very toxic fumes of NOx, SOx, and ZnO. Used as an anti- dandruff agent in shampoos. See also ZINC COMPOUNDS and SULFIDES.
7. Computational chemical data
  • Molecular Weight:317.72172g/mol
  • Molecular Formula:C10H8N2O2S2Zn
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:315.931862
  • Monoisotopic Mass:315.931862
  • Complexity:183
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.9
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
8. Recommended Suppliers
Global315SuppliersView all >>
  • Products:Pharma &Food Intermediates Water Treatment Chemicals Industrial Specialties Fine Chemicals
  • Tel:86-27-84452116
  • Email:steven@cspharmchem.com
2-Pyridinethiol 1-Oxide Zinc Salt, Pyrithione zinc; ZNPT
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 13 USD/kg
  • Time: 2022/05/27
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:spring@crovellbio.com
Zinc pyrithione CAS 13463-41-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Zinc pyrithione CAS No.: 13463-41-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/05/27
Inquire
  • Products:high quality chemical raw materials, polymer functional modified materials, cosmetics production raw materials, new composite materials.
  • Tel:00-86-13283434511
  • Email:243531060@qq.com
CAS 13463-41-7 Zinc pyrithione
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/27
Inquire
  • Products:chemical industry and Pharmaceutical Intermediates products
  • Tel:0086-0311-88888888
  • Email:lisa@zhanyaobio.com
Zinc Pyrithione
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 5 USD/kilogram
  • Time: 2022/05/27
Inquire