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4-penten-2-one, 4-methyl-
Notes:
Listed in the EAFUS Food Additive Database (Jan 2001) but with no current reported uses (DFC)
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| CAS Number: | 3744-02-3 |  3D/inchi
|
| FDA UNII: | P549RW6459 | |
| Nikkaji Web: | J121.791G | |
| XlogP3-AA: | 1.30 (est) | |
| Molecular Weight: | 98.14490000 | |
| Formula: | C6 H10 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: flavoring 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 |
| FDA Mainterm (SATF): | 3744-02-3 ; 4-METHYL-4-PENTEN-2-ONE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | -72.60 °C. @ 760.00 mm Hg |
| Boiling Point: | 124.00 to 125.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 120.00 to 121.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 15.100000 mmHg @ 25.00 °C. |
| Flash Point: | 76.00 °F. TCC ( 24.70 °C. ) (est) |
| logP (o/w): | 1.160 |
| Soluble in: | |
| alcohol | |
| water, 12100 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: vegetable | |
| pungent vegetable acrylate | |
| Odor Description: at 0.10 % in propylene glycol. | pungent vegetable acrylic |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 4-Penten-2-one, 4-methyl- 95% |
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: | flavoring agents | ||
| Recommendation for isomesityl oxide usage levels up to: | |||
| not for fragrance 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 : | 19543 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 4-methylpent-4-en-2-one | |
| Chemidplus: | 0003744023 |
References:
| 4-methylpent-4-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3744-02-3 |
| Pubchem (cid): | 19543 |
| Pubchem (sid): | 134986116 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB31564 |
| FooDB: | FDB008179 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| vegetable | ||
| vegetable | ||
| mesityl oxide | FL/FR | |
| For Flavor | ||
| green | ||
| 4- | penten-1-yl acetate | FL |
| potato | ||
| mesityl oxide | FL/FR | |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| tea Search Trop Picture |
Synonyms:
| 4- | methyl-4-penten-2-one |
| 4- | methylpent-4-en-2-one |
| 4- | penten-2-one, 4-methyl- |
| iso | propenyl acetone |