Articles:
2(3H)-furanone, dihydro-4-methyl- (8CI)(9CI)
Notes:
3-methylbutyrolactone is lactone of 4-hydroxyisovaleric acid and it has been found in the urine of patients with isovaleric acidemia, an autosomal recessive genetic disorder of the enzyme isovaleryl-CoA dehydrogenase (PMID 6452974; PMID 6616835). Isovaleric acidemia is closely related to the genetic metabolic disorder Maple syrup urine disease. [HMDB]
| CAS Number: | 1679-49-8 |  3D/inchi
|
| FDA UNII: | Search | |
| Nikkaji Web: | J141.092J | |
| XlogP3-AA: | 0.60 (est) | |
| Molecular Weight: | 100.11716000 | |
| Formula: | C5 H8 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge 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: | 206.60 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.200000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 193.00 °F. TCC ( 89.40 °C. ) (est) |
| logP (o/w): | -0.270 (est) |
| Soluble in: | |
| water, 9.381e+004 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 3-methyl butyrolactone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 3-methyl butyrolactone 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 : | 98451 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 4-methyloxolan-2-one | |
| Chemidplus: | 0001679498 |
References:
| 4-methyloxolan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 98451 |
| Pubchem (sid): | 135055908 |
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 |
| HMDB (The Human Metabolome Database): | HMDB02167 |
| FooDB: | FDB022879 |
| 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
| found in nature |
Synonyms:
| dihydro-4-methyl-2(3H)-furanone | |
| 2(3H)- | furanone, dihydro-4-methyl- |
| 2(3H)- | furanone, dihydro-4-methyl- (8CI)(9CI) |
| 3- | methylbutyrolactone |
| 4- | methyloxolan-2-one |