Articles:
benzeneacetic acid, alpha-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-, methyl ester, (E)- (9CI)
Notes:
None found
| CAS Number: | 521-52-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 208-314-1 | |
| FDA UNII: | 13N7RF6M84 | |
| Beilstein Number: | 1437166 | |
| MDL: | MFCD00075804 | |
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 322.31658000 | |
| Formula: | C19 H14 O5 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: herbicides / pesticides
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: | 568.80 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 411.00 °F. TCC ( 210.30 °C. ) (est) |
| logP (o/w): | 2.540 (est) |
| Soluble in: | |
| water, 10.59 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Carbosynth |
| For experimental / research use only. |
| Vulpinic Acid |
| ExtraSynthese |
| For experimental / research use only. |
| Vulpic acid |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Vulpinic Acid ≥98% |
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 75 mg/kg Acta Pharmacologica et Toxicologica. Vol. 2, Pg. 109, 1946. intravenous-mouse LD50 180 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02804 oral-rat LDLo 500 mg/kg National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 30, 1953. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | herbicides / pesticides | ||
| Recommendation for vulpinic acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for vulpinic acid flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 54699186 |
| National Institute of Allergy and Infectious Diseases: | Data |
| methyl (2Z)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetate | |
| Chemidplus: | 0000521528 |
| RTECS: | HF3500000 for cas# 521-52-8 |
References:
| methyl (2Z)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 54699186 |
| Pubchem (sid): | 135030044 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | 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
| found in nature |
Synonyms:
| acetic acid, (3-hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)phenyl-, methyl ester | |
| benzeneacetic acid, alpha-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-, methyl ester, (E)- (9CI) | |
| delta(sup 2(5H),alpha)- | furanacetic acid, 3-hydroxy-5-oxo-alpha,4-diphenyl-, methyl ester |
| delta2(5H),alpha- | furanacetic acid, 3-hydroxy-5-oxo-alpha,4-diphenyl-, methyl ester (8CI) |
| 2,4- | hexadienedioic acid, 3,4-dihydroxy-2,5-diphenyl-, mono-gamma-lactone, methyl ester |
| 3- | hydroxy-5-oxo-alpha,4-diphenyl-delta(sup 2(5H),alpha)-furan acetic acid methyl ester |
| methyl (2Z)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetate | |
| methyl 2-(3,5-dioxo-4-phenyl-2-furylidene)-2-phenylacetate | |
| vulpinic acid methyl ester |