Articles:
| None found yet. Try the PubMed Search. |
1-(2-thienoyl)hexane
Notes:
Constit. of roast beef aroma
| CAS Number: | 30711-40-1 |  3D/inchi
|
| FDA UNII: | 95SA3Y3JSV | |
| Nikkaji Web: | J47.714A | |
| XlogP3: | 3.70 (est) | |
| Molecular Weight: | 196.31272000 | |
| Formula: | C11 H16 O S | |
| 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:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 295.00 to 296.00 °C. @ 760.00 mm Hg (est) |
| Boiling Point: | 154.00 to 156.00 °C. @ 15.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 271.00 °F. TCC ( 132.70 °C. ) (est) |
| logP (o/w): | 3.817 (est) |
| Soluble in: | |
| alcohol | |
| water, 19.37 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Carbosynth |
| For experimental / research use only. |
| 1-(Thiophen-2-yl)heptan-1-one |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2-(Heptanoyl)thiophene |
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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 2-heptanoyl thiophene usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 2-heptanoyl thiophene 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 : | 141581 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-thiophen-2-ylheptan-1-one | |
| Chemidplus: | 0030711401 |
References:
| 1-thiophen-2-ylheptan-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 141581 |
| Pubchem (sid): | 135096483 |
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): | HMDB40241 |
| FooDB: | FDB019956 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| beef roasted beef Search PMC Picture |
Synonyms:
| 1- | heptanone, 1-(2-thienyl)- |
| 2-(n- | heptanoyl) thiophene |
| 2-(n- | heptanoyl)thiophene |
| 2- | heptanoylthiophene |
| 1-(2- | thienoyl)hexane |
| 1-(2- | thienyl)-1-heptanone |
| 1-(2- | thienyl)heptan-1-one |
| 1-( | thiophen-2-yl)heptan-1-one |
| 1- | thiophen-2-ylheptan-1-one |