bispyrithione
antimicrobial agents
| 2D: |
 |
| 3D: |
|
| CAS Number: |
3696-28-4
|
| ECHA EC Number: |
223-024-5 |
| FDA UNII: |
9L87N86R9A |
| Category: |
antimicrobial agents |
| IUPAC Name: |
bispyrithione |
| InChI : |
InChI=1/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H |
| Std.InChI: |
InChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H |
| InChIKey : |
ZHDBTKPXEJDTTQ-UHFFFAOYAK |
| Std.InChIKey: |
ZHDBTKPXEJDTTQ-UHFFFAOYSA-N |
| SMILES : |
C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-] |
| MDL: |
MFCD00006197 |
| Molar Refractivity : |
68.76 ± 0.5 cm3 (est) |
| Parachor : |
509.4 ± 8.0 cm3 (est) |
| Index of Refraction : |
1.681 ± 0.05
(est) |
| Surface Tension : |
61.6 ± 7.0 dyne/cm (est) |
| Density : |
1.38 ± 0.1 g/cm3 (est) |
| Polarizability : |
27.26 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: |
| | water, 1e+006 mg/L @ 25 °C (est) |
Safety Information:
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
| Not determined |
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
| Category: |
| antimicrobial agents |
| Recommendation for bispyrithione usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for bispyrithione flavor usage levels up to: |
| | not for flavor use. |
Safety References:
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3696-28-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :3109 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium |
| Chemidplus:0003696284 |
| RTECS:UT2965000 for cas# 3696-28-4 |
References:
| | 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3109 |
| Pubchem (sid): | 134984428 |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | dipyrithione |
| 2,2- | dithiobis(pyridine N-oxide) |
| 1- | oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium |
| bis(2- | pyridine-N-oxide)disulfide |
