Articles:
| None found yet. Try the PubMed Search. |
2,4-pentanedione, 3-methyl- (8CI)(9CI)
Notes:
None found
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| CAS Number: | 815-57-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 212-420-3 | |
| FDA UNII: | Search | |
| Nikkaji Web: | J110.475F | |
| MDL: | MFCD00008762 | |
| XlogP3-AA: | 0.40 (est) | |
| Molecular Weight: | 114.14410000 | |
| Formula: | C6 H10 O2 | |
| BioActivity Summary: | listing | |
| 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 |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97500 to 0.98100 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.122 to 8.172 |
| Refractive Index: | 1.44200 to 1.44600 @ 20.00 °C. |
| Boiling Point: | 170.00 to 173.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.295000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 134.00 °F. TCC ( 56.67 °C. ) |
| logP (o/w): | 0.623 (est) |
| Soluble in: | |
| alcohol | |
| water, 4.18e+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:
| BOC Sciences |
| For experimental / research use only. |
| 3-Methyl-2,4-pentanedione, mixture of tautomers 95+% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Methyl-2,4-pentanedione, mixture of tautomers |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-Methyl-2,4-pentanedione, technical grade, 85%, mixture of tautomers |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Methyl-2,4-pentanedione >96.0%(T) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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 methyl acetyl acetone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for methyl acetyl acetone 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 : | 69949 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1224 |
| WGK Germany: | 3 |
| 3-methylpentane-2,4-dione | |
| Chemidplus: | 0000815576 |
References:
| 3-methylpentane-2,4-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 69949 |
| Pubchem (sid): | 135027104 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| 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
| found in nature |
Synonyms:
| 1,1- | diacetylethane |
| 3- | methyl pentane-2,4-dione |
| 3- | methyl-2,4-pentane dione (mixture of tautomers) |
| 3- | methyl-2,4-pentanedione |
| 3- | methylpentane-2,4-dione |
| 2,4- | pentanedione, 3-methyl- |
| 2,4- | pentanedione, 3-methyl- (8CI)(9CI) |