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1-thiophen-3-ylethanone
Notes:
Maillard product; organoleptic
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| CAS Number: | 1468-83-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 215-996-4 | |
| FDA UNII: | XB5SQX2RBW | |
| Nikkaji Web: | J80.123B | |
| Beilstein Number: | 00107241 | |
| MDL: | MFCD00005468 | |
| XlogP3: | 1.20 (est) | |
| Molecular Weight: | 126.17802000 | |
| Formula: | C6 H6 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: | white to tan solid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 60.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 210.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 190.00 to 191.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.365000 mmHg (est) |
| Flash Point: | 156.00 °F. TCC ( 69.00 °C. ) (est) |
| logP (o/w): | 1.240 |
| Soluble in: | |
| alcohol | |
| water, 8307 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 3-Acetylthiophene 95% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Acetylthiophene |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-Acetylthiophene 98% |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Acetylthiophene >95.0%(GC) |
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 3-acetyl thiophene usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 3-acetyl 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 : | 15116 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 1-thiophen-3-ylethanone | |
| Chemidplus: | 0001468833 |
References:
| 1-thiophen-3-ylethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 15116 |
| Pubchem (sid): | 134980685 |
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): | HMDB33134 |
| FooDB: | FDB011135 |
| Export Tariff Code: | 2934.99.9000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| velvety |
Occurrence (nature, food, other): note
| coffee roasted coffee Search PMC Picture |
Synonyms:
| 3- | acetylthiophene |
| ethanone, 1-(3-thienyl)- | |
| ketone, methyl 3-thienyl | |
| methyl 3-thienyl ketone | |
| methyl-3-thienyl ketone | |
| 1-( | thien-3-yl)ethan-1-one |
| 1-oxo-1-( | thien-3-yl)ethane |
| 1- | thien-3-ylethanone |
| 1-(3- | thienyl)ethanone |
| 1- | thiophen-3-yl-ethanone |
| 1-( | thiophen-3-yl)ethan-1-one |
| 1-( | thiophen-3-yl)ethanone |
| 1- | thiophen-3-ylethanone |