Articles:
1-oxa-3-aza-1H-indene
Notes:
None found
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| CAS Number: | 273-53-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 205-988-9 | |
| FDA UNII: | J233Y1I55I | |
| Nikkaji Web: | J55.474J | |
| Beilstein Number: | 109467 | |
| MDL: | MFCD00005765 | |
| XlogP3: | 1.60 (est) | |
| Molecular Weight: | 119.12305000 | |
| Formula: | C7 H5 N O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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: | 28.00 to 31.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 182.00 to 183.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.101000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 137.00 °F. TCC ( 58.33 °C. ) |
| logP (o/w): | 1.590 |
| Soluble in: | |
| water, 8340 mg/L @ 20 °C (exp) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Benzoxazole 98% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Benzoxazole |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Benzoxazole 98% |
| TCI AMERICA |
| For experimental / research use only. |
| Benzoxazole >98.0%(GC) |
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: | |
|
oral-mouse LD50 750 mg/kg Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 336, 1964. intravenous-mouse LD50 179 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952. intraperitoneal-mouse LD50 250 mg/kg Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 336, 1964. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for benzoxazole usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for benzoxazole 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): | 273-53-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 9228 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 1,3-benzoxazole | |
| Chemidplus: | 0000273530 |
| RTECS: | DM4375000 for cas# 273-53-0 |
References:
| 1,3-benzoxazole | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 9228 |
| Pubchem (sid): | 134974272 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB004443 |
| Export Tariff Code: | 3204.20.4000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| beef roast beef Search PMC Picture | |
| tea leaf Search Trop Picture |
Synonyms:
| 1-oxa-3- | azaindene |
| benzo[d]oxazole | |
| 1,3- | benzoxazole |
| benzoxyazole | |
| 1,3- | dioxaindan |
| 1,3- | dioxindan |
| 1-oxa-3-aza-1H- | indene |
| ( | methylenedioxy)benzene |