4,4-Dimethyldihydro-2,3-furandione structure
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Common Name | 4,4-Dimethyldihydro-2,3-furandione | ||
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CAS Number | 13031-04-4 | Molecular Weight | 128.126 | |
Density | 1.2±0.1 g/cm3 | Boiling Point | 260.5±7.0 °C at 760 mmHg | |
Molecular Formula | C6H8O3 | Melting Point | 67-69ºC(lit.) | |
MSDS | Chinese USA | Flash Point | 122.8±15.4 °C |
Use of 4,4-Dimethyldihydro-2,3-furandioneKeto-pantoyllactone is assayed by the spectrophotometric measurement of ketopantoyl lactone-dependent oxidation of nicotinamide adenine dinucleotide phosphate. |
Name | 2-dehydropantolactone |
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Synonym | More Synonyms |
Density | 1.2±0.1 g/cm3 |
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Boiling Point | 260.5±7.0 °C at 760 mmHg |
Melting Point | 67-69ºC(lit.) |
Molecular Formula | C6H8O3 |
Molecular Weight | 128.126 |
Flash Point | 122.8±15.4 °C |
Exact Mass | 128.047348 |
PSA | 43.37000 |
LogP | -0.27 |
Vapour Pressure | 0.0±0.5 mmHg at 25°C |
Index of Refraction | 1.446 |
Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: Dihydro-4,4-dimethyl-2,3-furandione CAS-No.: 13031-04-4 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008. Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC. Label elements The product does not need to be labelled in accordance with EC directives or respective national laws. Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Formula: C6H8O3 Molecular Weight: 128,13 g/mol Section4. FIRST AID MEASURES Description of first aid measures If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. In case of skin contact Wash off with soap and plenty of water. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Most important symptoms and effects, both acute and delayed Indication of any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Provide appropriate exhaust ventilation at places where dust is formed. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Hygroscopic. Specific end uses no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls General industrial hygiene practice. Personal protective equipment Eye/face protection Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. Body Protection Choose body protection in relation to its type, to the concentration and amount of dangerous substances, and to the specific work-place., The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: solid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: 67 - 69 °C - lit. point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Autoignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. May cause respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. May cause skin irritation. EyesMay cause eye irritation. Additional Information RTECS: Not available Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A |
Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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RIDADR | NONH for all modes of transport |
WGK Germany | 3 |
HS Code | 2932190090 |
~99% 4,4-Dimethyldih... CAS#:13031-04-4 |
Literature: Matsumoto, Masakatsu; Ito, Satoru Synthetic Communications, 1984 , vol. 14, # 7 p. 697 - 700 |
~% 4,4-Dimethyldih... CAS#:13031-04-4 |
Literature: Kuhn; Wieland Chemische Berichte, 1942 , vol. 75, p. 121 Full Text Show Details Lipton; Strong Journal of the American Chemical Society, 1949 , vol. 71, p. 2364,2366 |
~% 4,4-Dimethyldih... CAS#:13031-04-4 |
Literature: Fizet Helvetica Chimica Acta, 1982 , vol. 65, # 7 p. 2024 - 2028 |
~% 4,4-Dimethyldih... CAS#:13031-04-4
Detail
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Literature: Shimizu, Sakayu; Yamada, Hideaki; Hata, Hiroyuki; Morishita, Tsuyoshi; Akutsu, Seiichi; Kawamura, Masao Agricultural and Biological Chemistry, 1987 , vol. 51, # 1 p. 289 - 290 |
~% 4,4-Dimethyldih... CAS#:13031-04-4 |
Literature: Hata; Morishita; Akutsu; Kawamura Synthesis, 1991 , # 4 p. 289 - 291 |
~% 4,4-Dimethyldih... CAS#:13031-04-4 |
Literature: Kataoka, Michihiko; Shimizu, Sakayu; Yamada, Hideaki Agricultural and Biological Chemistry, 1990 , vol. 54, # 1 p. 177 - 182 |
~% 4,4-Dimethyldih... CAS#:13031-04-4 |
Literature: Lipton; Strong Journal of the American Chemical Society, 1949 , vol. 71, p. 2364,2366 |
Precursor 8 | |
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DownStream 10 | |
HS Code | 2932190090 |
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Summary | 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
Effect of cyclodextrin on improvement of enantioselectivity in the reduction of ketopantolactone with baker's yeast.
Bioorg. Med. Chem. 2(6) , 433-7, (1994) Addition of beta-cyclodextrin improves enantioselectivity dramatically in the reduction of ketopantolactone mediated by baker's yeast. It has been found that the selectivity increases with the decreas... |
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Gene cloning and overexpression of two conjugated polyketone reductases, novel aldo-keto reductase family enzymes, of Candida parapsilosis.
Appl. Microbiol. Biotechnol. 64(3) , 359-66, (2004) The genes encoding two conjugated polyketone reductases (CPR-C1, CPR-C2) of Candida parapsilosis IFO 0708 were cloned and sequenced. The genes encoded a total of 304 and 307 amino acid residues for CP... |
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LplR, a repressor belonging to the TetR family, regulates expression of the L-pantoyl lactone dehydrogenase gene in Rhodococcus erythropolis.
Appl. Environ. Microbiol. 78(22) , 7923-30, (2012) The L-pantoyl lactone (L-PL) dehydrogenase (LPLDH) gene (lpldh) has been cloned from Rhodococcus erythropolis AKU2103, and addition of 1,2-propanediol (1,2-PD) was shown to be required for lpldh expre... |
4,4-dimethyloxolane-2,3-dione |
ketopantolactone |
4,4-Dimethyldihydro-2,3-furandione |
2,3-Furandione,dihydro-4,4-dimethyl |
MFCD00012331 |
4,4-dimethyl-2,3(5H)-furandione |
Keto-pantoyllactone |
dihydro-4,4-dimethylfuran-2,3-dione |
4,4-dimethyltetrahydrofuran-2,3-dione |
Dihydro-4,4-dimethyl-2,3-Furandione |
4,4-Dimethyldihydrofuran-2,3-dione |
2-oxopantoyl lactone |
2,3-Furandione, dihydro-4,4-dimethyl- |
EINECS 235-891-7 |
2-dehydropantoyl lactone |