Articles:
(E)-3-benzylideneisobenzofuran-1(3H)-one
Notes:
contaminant of phenindione tablets considered as potentially immunogenic substance.
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| CAS Number: | 575-61-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 209-388-8 | |
| FDA UNII: | C9E8S3AGYQ | |
| Beilstein Number: | 0083797 | |
| MDL: | MFCD00005929 | |
| XlogP3-AA: | 3.50 (est) | |
| Molecular Weight: | 222.24310000 | |
| Formula: | C15 H10 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic UV absorber
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: | 374.10 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 314.00 °F. TCC ( 156.90 °C. ) (est) |
| logP (o/w): | 4.270 (est) |
| Soluble in: | |
| water, 148.8 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
uv absorbers |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Benzalphthalide |
| Glentham Life Sciences |
| Benzalphthalide |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Benzalphthalide |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Benzalphthalide |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Benzalphthalide >99.0%(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: | |
|
intraperitoneal-mouse LD > 500 mg/kg "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 143, 1953. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | cosmetic UV absorber | ||
| Recommendation for benzalphthalide usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for benzalphthalide flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| 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 : | 700611 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (3E)-3-benzylidene-2-benzofuran-1-one | |
| Chemidplus: | 0000575611 |
| RTECS: | TI3686000 for cas# 575-61-1 |
References:
| (3E)-3-benzylidene-2-benzofuran-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 700611 |
| Pubchem (sid): | 135023472 |
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 |
| Export Tariff Code: | 2932.99.7000 |
| 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:
| u.v. absorbers |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzal phthalide | |
| 1(3H)-I\iso | benzofuranane, 3-(phenylmethylene)- |
| 1(3H)-iso | benzofuranone, 3-(phenylmethylene)-, (3E)- |
| 3- | benzylidene phthalide |
| (3E)-3- | benzylidene-2-benzofuran-1-one |
| (3E)-3- | benzylidene-2-benzofuran-1(3H)-one |
| (E)-3- | benzylideneisobenzofuran-1(3H)-one |
| 3- | benzylidenphthalide |
| 3-[1- | phenyl-meth-(E)-ylidene]-3H-isobenzofuran-1-one |