Articles:
1(3H)-isobenzofuranone, 3-butylidene-, (3E)-
Notes:
Constit. of Angelica glauca
| CAS Number: | 76681-73-7 |  3D/inchi
|
| XlogP3-AA: | 3.20 (est) | |
| Molecular Weight: | 188.22604000 | |
| Formula: | C12 H12 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance 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 |
| Perfumer and Flavorist: | 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: | 312.00 to 313.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 262.00 °F. TCC ( 127.90 °C. ) (est) |
| logP (o/w): | 3.388 (est) |
| Soluble in: | |
| alcohol | |
| water, 353.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Safety References:
| European Food Safety Authority (EFSA) reference(s): | |
| Scientific Opinion on the safety and efficacy of alicyclic and aromatic lactones (chemical group 11) when used as flavourings for all animal species View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5352899 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (3E)-3-butylidene-2-benzofuran-1-one | |
| Chemidplus: | 0076681737 |
References:
| (3E)-3-butylidene-2-benzofuran-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5352899 |
| Pubchem (sid): | 135020319 |
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): | HMDB32061 |
| FooDB: | FDB008769 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| angelica glauca Search Trop Picture | |
| celery Search Trop Picture | |
| levisticum officinale root oil @ 1.33% Data GC Search Trop Picture | |
| lovage root Search Trop Picture | |
| parsley leaf oil @ 0.63% Data GC Search Trop Picture |
Synonyms:
| 1(3H)-iso | benzofuranone, 3-butylidene-, (3E)- |
| (3E)-3- | butylidene-2-benzofuran-1-one |
| (E)-3- | butylidenephthalide |
| trans-3- | butylidenephthalide |