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| | 2,4,4-Trimethyl-1-pentene Basic information |
| Product Name: | 2,4,4-Trimethyl-1-pentene | | Synonyms: | 2,4,4-trimethyl-1-pentene,mixtureofisomers;2,4,4-trimethyl-pent-1-ene;2,4,4-Trimethylpentene-1;ISOOCTYLENE;ISOOCTENES;ISOCAPRYLENES;ALPHA-DIISOBUTYLENE;2,4,6-Trimethyl-1-pentene | | CAS: | 107-39-1 | | MF: | C8H16 | | MW: | 112.21 | | EINECS: | 203-486-4 | | Product Categories: | Acyclic;Alkenes;Building Blocks;Chemical Synthesis;Organic Building Blocks | | Mol File: | 107-39-1.mol |  |
| | 2,4,4-Trimethyl-1-pentene Chemical Properties |
| Melting point | -101 °C | | Boiling point | 101-102 °C (lit.) | | density | 0.708 g/mL at 25 °C (lit.) | | vapor density | >3.8 (vs air) | | vapor pressure | 83 mmHg ( 37.7 °C) | | refractive index | n20/D 1.411 | | Fp | 21 °F | | storage temp. | 2-8°C | | form | Liquid | | Specific Gravity | 0.708 | | color | Clear colorless | | Odor | Like gasoline. | | explosive limit | 4.8% | | Water Solubility | Miscible with acetone. Partially soluble in methanol, diethyl ether, benzene, chloroform. Immiscible with water. | | BRN | 1098309 | | Henry's Law Constant | 1.2×10-5 mol/(m3Pa) at 25℃, Yaws (2003) | | Stability: | Stable. Highly flammable. Vapour may flow over surfaces to a distant source of ignition. Incompatible with oxidizing agents. | | InChI | 1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3 | | InChIKey | FXNDIJDIPNCZQJ-UHFFFAOYSA-N | | SMILES | CC(=C)CC(C)(C)C | | CAS DataBase Reference | 107-39-1(CAS DataBase Reference) | | NIST Chemistry Reference | 1-Pentene, 2,4,4-trimethyl-(107-39-1) | | EPA Substance Registry System | 1-Pentene, 2,4,4-trimethyl- (107-39-1) |
| Hazard Codes | F,N | | Risk Statements | 11-51/53 | | Safety Statements | 9-16-29-33-61 | | RIDADR | UN 1216 (ISOOCTENES) | | WGK Germany | 2 | | RTECS | SB2717300 | | Autoignition Temperature | 736 °F | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29012990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Aquatic Chronic 2
Flam. Liq. 2 | | Hazardous Substances Data | 107-39-1(Hazardous Substances Data) |
| | 2,4,4-Trimethyl-1-pentene Usage And Synthesis |
| Chemical Properties | colourless liquid | | Uses | Organic synthesis; motor-fuel synthesis, particularly
isooctane; peroxide reactions. | | Uses | 2,4,4-Trimethyl-1-pentene is used in the manufacturing of chemicals, adhesives, sealant chemicals, fuels and fuel additives. | | Definition | Mixture of isomers. | | General Description | 2,4,4-Trimethyl-1-pentene is a α-alkene. It is the main dimeric product of isobutene. Ozonolysis of 2,4,4-trimethyl-1-pentene has been investigated in a flow reactor under pseudo-first-order conditions. Hydrocracking (HCG) of 2,4,4-trimethyl-1-pentene has been employed as a model test reaction to investigate the catalytic functionalities of sulfided CoMo catalysts. Liquid phase oxidation of 2,4,4-trimethyl-1-pentene with molecular xygen afforded epoxides and hydrogen peroxides. | | Hazard | Flammable, dangerous fire risk. | | Health Hazard | Recommended Personal Protective Equipment: Protective goggles; Symptoms Following Exposure: Low general toxicity; may act as simple asphyxiate in high vapor concentrations; General Treatment for Exposure: INHALATION: remove from exposure; support respiration; Toxicity by Inhalation (Threshold Limit Value): Data not available; Short-Term Exposure Limits: Data not available; Toxicity by Ingestion: Data not available; Late Toxicity: Liver and kidney damage in exp. animals; Vapor (Gas) Irritant Characteristics: Vapors are nonirritating to the eyes and throat; Liquid or Solid Irritant Characteristics: Minimum hazard. If spilled on clothing and allowed to remain, may cause smarting and reddening of the skin; Odor Threshold: Data not available. | | Chemical Reactivity | Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent. | | Toxics Screening Level | Due to a lack of available toxicity information the ITSL is being set at 0.1 μg/m3 with annual averaging. |
| | 2,4,4-Trimethyl-1-pentene Preparation Products And Raw materials |
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