Articles:
2H-pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-, (2R,4R)-
Notes:
Flavouring compound [Flavornet]
| CAS Number: | 5258-11-7 |  3D/inchi
|
| FDA UNII: | B19Q1KY4EC | |
| Nikkaji Web: | J85.990G | |
| Beilstein Number: | 6053162 | |
| MDL: | MFCD00216744 | |
| XlogP3-AA: | 2.90 (est) | |
| Molecular Weight: | 154.25266000 | |
| Formula: | C10 H18 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
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 |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 75.00 to 76.00 °C. @ 12.00 mm Hg |
| Boiling Point: | 196.00 to 197.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.551000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 152.00 °F. TCC ( 66.80 °C. ) (est) |
| logP (o/w): | 3.126 (est) |
| Soluble in: | |
| alcohol | |
| water, 63.97 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Sigma-Aldrich |
| For experimental / research use only. |
| (-)-trans-Rose Oxide purum, ≥95.0% (GC) |
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: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
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 : | 7093102 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (2R,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane | |
| Chemidplus: | 0005258117 |
References:
| Leffingwell: | Chirality or Article |
| (2R,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 7093102 |
| Pubchem (sid): | 80222172 |
| Flavornet: | 5258-11-7 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB029682 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| lime small-leaved lime Search Trop Picture | |
| oregon grape-holly Search Trop Picture | |
| rosa centifolia Search Trop Picture | |
| rosa damascena Search Trop Picture |
Synonyms:
| (2R,4R)-4- | methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2h-pyran |
| (2R,4R)-4- | methyl-2-(2-methylprop-1-enyl)oxane |
| 2H- | pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-, (2R,4R)- |
| (-)-trans- | rose oxide |
| (E)-(-)- | rose oxide |
| trans-(-)- | rose oxide |
| (2R,4R)- | tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran |