Articles:
1H-benzo[d]azoline-2,3-dione
Notes:
an indole-dione that is obtained by oxidation of indigo blue. it is a monoamine oxidase inhibitor and high levels have been found in urine of parkinsonism patients.
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| CAS Number: | 91-56-5 |  3D/inchi
|
| Other(deleted CASRN): | 5815-00-9 | |
| ECHA EINECS - REACH Pre-Reg: | 202-077-8 | |
| FDA UNII: | 82X95S7M06 | |
| Nikkaji Web: | J4.342G | |
| Beilstein Number: | 0383659 | |
| MDL: | MFCD00005718 | |
| XlogP3: | 0.80 (est) | |
| Molecular Weight: | 147.13325000 | |
| Formula: | C8 H5 N O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 203.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 360.30 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.000001 mmHg @ 25.00 °C. (est) |
| Flash Point: | 341.00 °F. TCC ( 171.70 °C. ) (est) |
| logP (o/w): | 0.830 |
| Soluble in: | |
| water, 1.527e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
hair dyeing agents |
Suppliers:
| Alfa Biotechnology |
| For experimental / research use only. |
| Isatin 98% |
| BOC Sciences |
| For experimental / research use only. |
| Isatin MP 202-204deg |
| BST Tianjin Co. |
| Isatin/2,3-Indolinedione |
| Glentham Life Sciences |
| Isatin |
| Penta International |
| ISATIN, PHARMACEUTICAL GRADE |
| Penta International |
| ISATIN, TECHNICAL GRADE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Isatin ≥98% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Isatin 98% |
| TCI AMERICA |
| For experimental / research use only. |
| Isatin >98.0%(GC)(T) |
Safety Information:
| Preferred SDS: View | |
| 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: | |
|
intraperitoneal-mouse LD50 330 mg/kg Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 55, Pg. 1514, 1959. intravenous-rat LD > 800 mg/kg PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Indian Journal of Physiology and Pharmacology. Vol. 6, Pg. 145, 1962. intraperitoneal-rat LD50 7740 mg/kg Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(8), Pg. 54, 1983. unreported-rat LD50 725 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Russian Pharmacology and Toxicology Vol. 41, Pg. 146, 1978. oral-rat LDLo 5000 mg/kg PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Indian Journal of Physiology and Pharmacology. Vol. 6, Pg. 145, 1962. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | cosmetic agents | ||
| Recommendation for isatin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for isatin 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): | 91-56-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7054 |
| National Institute of Allergy and Infectious Diseases: | Data |
| SCCNFP: | opinion |
| WGK Germany: | 1 |
| 1H-indole-2,3-dione | |
| Chemidplus: | 0000091565 |
| RTECS: | NL7873000 for cas# 91-56-5 |
References:
| 1H-indole-2,3-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 91-56-5 |
| Pubchem (cid): | 7054 |
| Pubchem (sid): | 134971576 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C11129 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2933.79.1500 |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 1H- | benzo[d]azoline-2,3-dione |
| 2,3- | diketoindoline |
| 2,3- | dioxo-2,3-dihydroindole |
| 2,3- | dioxoindoline |
| 3- | hydroxy-2-oxoindole |
| indole-2,3-dione | |
| 1H- | indole-2,3-dione |
| indolequinone | |
| indoline-2,3-dione | |
| 2,3- | indolinedione |