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2,4-dimethyl-3-pentanone
General Material Information
| Preferred name | 2,4-dimethyl-3-pentanone |
| Trivial Name | Diisopropyl ketone |
| Short Description | 3-pentanone, 2,4-dimethyl- |
| Formula | C7 H14 O |
| CAS Number | 565-80-0 |
| ECHA Number | 209-294-7 |
| FDA UNII | 7AAP3A50IG |
| Nikkaji Number | J6.514E |
| Beilstein Number | 773782 |
| MDL | MFCD00008918 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 2,4-dimethylpentan-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 565-80-0 |
| Pubchem (cid): | 11271 |
| Pubchem (sid): | 134978643 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Certain 2,5-dimethyl-3-thiopyrazines | |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31429 |
| FooDB: | FDB003508 |
| Export Tariff Code: | 2914.19.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Penta International | Santa Cruz Biotechnology |
| Sigma-Aldrich: Aldrich | TCI AMERICA |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 114.1877822876 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 6.69 to 6.715 |
| Refractive Index | 1.399 to 1.401 @ 20 °C |
| Vapor Pressure | 13.4 mmHg @ 25 °C |
| Flash Point TCC Value | 15.56 °C TCC |
| logP (o/w) | 1.86 |
| Solubility | |
| alcohol | Yes |
| water, 5700 mg/L @ 25 °C (exp) | Yes |
| water | No |
Organoleptic Properties
| Flavor Type: Acetone | |
| acetone |
Occurrences
| (data available) |
Safety Information
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 3536 mg/kg United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-1062 | |
| Dermal Toxicity: | |
| skin-rat LD50 > 16120 mg/kg United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-1062 | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 > 2765 ppm/6H United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-1062 | |
Safety in use information
| Category: | |||
| natural substances and extractives | |||
| Recommendation for 2,4-dimethyl-3-pentanone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 2,4-dimethyl-3-pentanone flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):565-80-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11271 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 2,4-dimethylpentan-3-one |
| Chemidplus:0000565800 |
| RTECS:SA8575500 for cas# 565-80-0 |