Articles:
2-hydroxy-3-methyl-4-acetyltetrahydrofuran
Notes:
antibiotic with antileukemic activity; isolated from botryodiplodia theobromae pat.; has interesting property of turning the skin of the individual various shades of pink 2-3 hrs after application; toxic metabolite of penicillium carneo-lutescens. Mycotoxin prod. by Botryodiplodia theobromae, Penicillium carneoluteus and Penicillium roquefortii. Isol. from P. roquefortii infected corn silage
| CAS Number: | 27098-03-9 |  3D/inchi
|
| Other(deleted CASRN): | 52218-59-4 | |
| FDA UNII: | 5G35Q22R8M | |
| Nikkaji Web: | J16.997H | |
| Beilstein Number: | 2935786 | |
| XlogP3-AA: | -0.20 (est) | |
| Molecular Weight: | 144.17024000 | |
| Formula: | C7 H12 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: | 249.36 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 214.00 °F. TCC ( 101.40 °C. ) (est) |
| logP (o/w): | 0.571 (est) |
| Soluble in: | |
| water, 1e+006 mg/L @ 25 °C (est) | |
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: | |
|
unreported-mouse LD50 40 mg/kg Environmental Mutagenesis. Vol. 3, Pg. 287, 1981. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for botryodiplodin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for botryodiplodin flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA GENetic TOXicology: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 33701 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-(5-hydroxy-4-methyloxolan-3-yl)ethanone | |
| Chemidplus: | 0027098039 |
References:
| 1-(5-hydroxy-4-methyloxolan-3-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 33701 |
| Pubchem (sid): | 134996554 |
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): | HMDB36594 |
| FooDB: | FDB015506 |
| 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
| botryodiplodia theobromae Search Trop Picture |
Synonyms:
| antibiotic PSX 1 | |
| botrydiplodin | |
| botryodipolodin | |
| botyrodiplodin | |
| cytostipin | |
| ethanone, 1-(tetrahydro-5-hydroxy-4-methyl-3-furanyl)- (9CI) | |
| 2- | hydroxy-3-methyl-4-acetyl tetrahydrofuran |
| 2- | hydroxy-3-methyl-4-acetyltetrahydrofuran |
| 2- | hydroxy-3-methyl-4-acetyltetrahydrofurane |
| 1-(5- | hydroxy-4-methyloxolan-3-yl)ethanone |
| ketone, methyl tetrahydro-5-hydroxy-4-methyl-3-furyl | |
| methyltetrahydro-5-hydroxy-4-methyl-3-furyl-ketone | |
| 1-( | tetrahydro-5-hydroxy-4-methyl-3-furanyl)ethanone |