
CAS Number999-78-0
Synonyms2-Pentyne,4,4-dimethyl; TERT-BUTYLMETHYLACETYLENE; 4,4-dimethyl-1-pentyne; 2,2-dimethyl-3-pentyne; MFCD00041613; methyl-t-Bu-acetylene; 1-tert-butyl-2-methylacetylene; 4,4-dimethyl-pent-2-yne; 4,4-Dimethyl-2-pentyne
Molecular FormulaC7H12
Molecular Weight99.13
Purity≥93.0 (GC)%
Density0.718
Boiling Point99-100 °C/1013 hPa
Melting Point-82.4ºC
Appearanceliquid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 999-78-0 |
| Catalog No. | 2A-9025851 |
| Chinese Name | 4,4-二甲基-2-戊炔 |
| Synonyms | 2-Pentyne,4,4-dimethyl; TERT-BUTYLMETHYLACETYLENE; 4,4-dimethyl-1-pentyne; 2,2-dimethyl-3-pentyne; MFCD00041613; methyl-t-Bu-acetylene; 1-tert-butyl-2-methylacetylene; 4,4-dimethyl-pent-2-yne; 4,4-Dimethyl-2-pentyne |
| Molecular Formula | C7H12 |
| Molecular Weight | 99.13 |
| Purity | ≥93.0 (GC) |
| Density | 0.718 |
| Boiling Point | 99-100 °C/1013 hPa |
| Melting Point | -82.4ºC |
| Appearance | liquid |
| Storage Condition | Keep container sealed and store in a cool, dry pla |
| Packaging | II |
| HTC | 2901299090 |
| MDL Number | MFCD00014507 |
| SMILES | N1=COCC1(C)C |
| InChI | 1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3 |
| InChI Key | KOAMXHRRVFDWRQ-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352005 |
| Hazard Symbols | 3 |
| MSDS | msds/25851_1_999_78_0.pdf |
| Use of | Respirator: Ventilation:If possible, handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:Colorless liquid Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable Hazardous Polymerization:No hazardous polymerization Conditions to Avoid:contact with ignition sources including open flame and electrostatic discharge. Incompatibility:strong oxidizing agents and halogens Decomposition Products:carbon monoxide, carbon dioxide and organic fumes SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:No data Mutagenic Effects:No data Tetratogenic Effects:No data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to federal, state and local regulations. SECTION 14: Transportation Shipping Name (CFR):Flammable liquids, N.O.S. Hazard Class (CFR):3 Additional Hazard Class (CFR):NA Packaging Group (CFR):II UN ID Number (CFR):UN# 1993 Shipping Name (IATA):Flammable liquid, N.O.S. Hazard Class (IATA):3 Additional Hazard Class (IATA):NA Packaging Group (IATA):II UN ID Number (IATA):UN# 1993 SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory SARA (Title 313):Title compound not listed Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION Safety Information Risk Phrases R11;R65 Safety Phrases S16-S23-S33-S62 RIDADR UN 3295 Packaging Group II Hazard Class 3 HS Code 2901299090 Synthetic Route bis(3,3-dimethy... 73838-84-3 methyl iodide 4,4-dimethylpen... Literature: Larock, R. C.; Hershberger, S. S. Tetrahedron Letters, 1981 , vol. 22, # 26 p. 2443 - 2446 91229-76-4 143384-59-2 158948-40-4 4,4-dimethylpen... Literature: Freudenberger, John H.; Schrock, Richard R. Organometallics, 1986 , vol. 5, p. 398 - 400 1-(Trimethylsil... tert-butyl chlo... 4,4-dimethylpen... Literature: Capozzi, Giuseppe; Ottana, Rosaria; Romeo, Giovanni; Marcuzzi, Franco Gazzetta Chimica Italiana, 1985 , vol. 115, # 6 p. 311 - 314 Precursor & DownStream Precursor 7 CAS#:73838-84-3 bis(3,3-dimethy... CAS#:74-88-4 methyl iodide CAS#:6224-91-5 1-(Trimethylsil... CAS#:507-20-0 tert-butyl chloride DownStream 10 CAS#:15120-99-7 1-(2,3,3-Trimet... CAS#:2177-30-2 4,4-dimethylpen... CAS#:4026-21-5 2-hydroxy-2,3,3... CAS#:872-75-3 1-(2,2-dimethyl... |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Summary 2901299090 unsaturated acyclic hydrocarbons. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 2.0%. General tariff:30.0% |
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