Articles:
2H-1-benzopyran-2-one, 4-hydroxy-
Notes:
None found
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| CAS Number: | 1076-38-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 214-060-2 | |
| FDA UNII: | X954ZLL2RD | |
| Nikkaji Web: | J12.175D | |
| Beilstein Number: | 0129768 | |
| MDL: | MFCD00006856 | |
| XlogP3-AA: | 1.30 (est) | |
| Molecular Weight: | 162.14442000 | |
| Formula: | C9 H6 O3 | |
| 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 |
| Boiling Point: | 352.40 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 330.00 °F. TCC ( 165.40 °C. ) (est) |
| logP (o/w): | 1.600 (est) |
| Soluble in: | |
| water, 1.949e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Alfa Biotechnology |
| For experimental / research use only. |
| 4-Hydroxycoumarin 98% |
| BOC Sciences |
| For experimental / research use only. |
| 4-Hydroxy Coumarin > 95%
Odor: characteristic Use: 4-Hydroxy Coumarin is a plant derived antioxidant, protecting against lipid peroxidation, as well as a potential inhibitor of HIV-1 Integrase. |
| EMD Millipore |
| For experimental / research use only. |
| 4-Hydroxycoumarin |
| ExtraSynthese |
| For experimental / research use only. |
| 4-Hydroxycoumarin (HPLC) ≥95% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 4-Hydroxycoumarin |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 4-Hydroxycoumarin 98% |
| TCI AMERICA |
| For experimental / research use only. |
| 4-Hydroxycoumarin >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 2000 mg/kg Acta Pharmacologica et Toxicologica. Vol. 2, Pg. 109, 1946. oral-mouse LD50 2000 mg/kg Medicina et Pharmacologia Experimentalis. Vol. 17, Pg. 497, 1967. | |
| Dermal Toxicity: | |
|
subcutaneous-mouse LD50 750 mg/kg BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 126, 1960. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 4-hydroxycoumarin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 4-hydroxycoumarin flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| ClinicalTrials.gov: | search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1076-38-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 54682930 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 4-hydroxychromen-2-one | |
| Chemidplus: | 0001076386 |
| RTECS: | DJ3100000 for cas# 1076-38-6 |
References:
| 4-hydroxychromen-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 54682930 |
| Pubchem (sid): | 134980284 |
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): | C20414 |
| HMDB (The Human Metabolome Database): | HMDB03654 |
| Export Tariff Code: | 2932.20.4500 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 2H-1- | benzopyran-2-one, 4-hydroxy- |
| benzotetronic acid | |
| coumarin, 4-hydroxy- (8CI) | |
| 4- | coumarinol |
| 4- | hydroxychromen-2-one |