Articles:
trans-3-methyl-4-octanolide
Notes:
Flavouring compound [Flavornet]
| CAS Number: | 39638-67-0 |  3D/inchi
|
| FDA UNII: | 7A29T3GS95 | |
| Nikkaji Web: | J181.415J | |
| Beilstein Number: | 4661547 | |
| MDL: | MFCD28010977 | |
| XlogP3: | 2.50 (est) | |
| Molecular Weight: | 156.22492000 | |
| Formula: | C9 H16 O2 | |
| 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: | 246.52 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.027000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 204.00 °F. TCC ( 95.60 °C. ) (est) |
| logP (o/w): | 1.968 (est) |
| Soluble in: | |
| water, 1387 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: coconut | |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
| spicy coconut clove celery incense | |
| Odor Description: at 1.00 %. | spicy coconut clove celery incense |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Sigma-Aldrich |
| For experimental / research use only. |
| trans-Quercus lactone analytical standard |
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 trans-oak lactone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for trans-oak lactone 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 : | 11084123 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (4S,5R)-5-butyl-4-methyloxolan-2-one |
References:
| (4S,5R)-5-butyl-4-methyloxolan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11084123 |
| Pubchem (sid): | 79122698 |
| Flavornet: | 39638-67-0 |
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): | Search |
| FooDB: | FDB029720 |
| 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
| oak wood Search PMC Picture |
Synonyms:
| trans-5- | butyl dihydro-4-methyl-2(3H)-furanone |
| (4S,5R)-5- | butyl-4-methyloxolan-2-one |
| 2(3H)- | furanone, 5-butyldihydro-4-methyl-, (4S,5R)- |
| trans-3- | methyl octanoic acid-gamma-lactone |
| trans- | oaklactone |
| trans- | quercus lactone |
| (+)-trans- | whiskey lactone |
| (+)-trans- | whisky lactone |