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3-butene-2-one, 3-methyl
Notes:
Listed in the EAFUS Food Additive Database (Jan. 2001) but with no current reported use
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 13-30900 3-METHYL-3-BUTEN-2-ONE
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| CAS Number: | 814-78-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 212-405-1 | |
| FDA UNII: | F64867GQVB | |
| Nikkaji Web: | J35.118K | |
| Beilstein Number: | 1071241 | |
| MDL: | MFCD00059207 | |
| XlogP3-AA: | 0.90 (est) | |
| Molecular Weight: | 84.11796000 | |
| Formula: | C5 H8 O | |
| NMR Predictor: | Predict (works with chrome, Edge 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 |
| FDA Mainterm (SATF): | 814-78-8 ; 3-METHYL-3-BUTEN-2-ONE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | -54.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 97.00 to 99.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 40.722000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 51.00 °F. TCC ( 10.56 °C. ) |
| logP (o/w): | 0.561 (est) |
| Shelf Life: | 6.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| Soluble in: | |
| alcohol | |
| water, 1.961e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Penta International |
| 3-METHYL-3-BUTEN-2-ONE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Methyl-3-buten-2-one ≥95% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-Methyl-3-buten-2-one |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Methyl-3-buten-2-one >95.0%(GC) (stabilized with HQ) |
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: | |
|
oral-rat LD50 180 mg/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. intraperitoneal-mouse LD50 490 mg/kg Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975 | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 230 ul/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| Inhalation Toxicity: | |
|
inhalation-guinea pig LCLo 250 ppm/4H National Technical Information Service. Vol. OTS0556100 inhalation-rat LCLo 125 ppm/4H AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 3-methyl-3-buten-2-one usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 3-methyl-3-buten-2-one flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 814-78-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 13143 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1246 |
| WGK Germany: | 3 |
| 3-methylbut-3-en-2-one | |
| Chemidplus: | 0000814788 |
| EPA/NOAA CAMEO: | hazardous materials |
References:
| 3-methylbut-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 814-78-8 |
| Pubchem (cid): | 13143 |
| Pubchem (sid): | 134977176 |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB31530 |
| FooDB: | FDB008137 |
| Export Tariff Code: | 2914.19.0000 |
| 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
| ginger lily white ginger lily Search Trop Picture | |
| hedychium gardnerianum Search Trop Picture |
Synonyms:
| 3- | buten-2-one, 3-methyl- |
| 3- | butene-2-one, 3-methyl |
| ketone, methyl isopropenyl | |
| 3- | methyl but-3-en-2-one |
| methyl isopropenyl ketone | |
| 2- | methyl-1-buten-3-one |
| 2- | methyl-1-butene-3-one |
| 3- | methyl-3-butene-2-one |
| 3- | methylbut-3-en-2-one |
| 3- | methylene-2-butanone |
| propen-2-yl methyl ketone | |
| iso | propenyl methyl ketone |