Trimethylpropane
2,2-Dimethylbutane
CAS: 75-83-2
Molecular Formula: C6H14
Trimethylpropane - Names and Identifiers
| Name | 2,2-Dimethylbutane |
| Synonyms | NEOHEXANE Neohexane NEOBUTANE (CH3)3CCH2CH3 Trimethylpropane 2,2-dimethyl-butan 2,2-Dimethylbutane 2,2-dinethyl butane butane,2,2-dimethyl- 2,2-DIMETHYLBUTANE, STANDARD FOR GC |
| CAS | 75-83-2 |
| EINECS | 200-906-8 |
| InChI | InChI=1/C6H14/c1-5-6(2,3)4/h5H2,1-4H3 |
Trimethylpropane - Physico-chemical Properties
| Molecular Formula | C6H14 |
| Molar Mass | 86.18 |
| Density | 0.649g/mLat 25°C(lit.) |
| Melting Point | −100°C(lit.) |
| Boling Point | 50°C(lit.) |
| Flash Point | <−30°F |
| Water Solubility | insoluble |
| Solubility | In methanol: 590 and 800 g/L at 5 and 10 °C, respectively. Miscible at higher temperatures (Kiseret al., 1961). Miscible with other aliphatic hydrocarbons, e.g., pentane, hexane, heptane, etc. |
| Vapor Presure | 5.35 psi ( 20 °C) |
| Vapor Density | 2.97 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to slightly yellow |
| Exposure Limit | ACGIH TLV: TWA and STEL for all isomers except n-hexane are 500 and1,000 ppm, respectively (adopted). |
| BRN | 1730736 |
| pKa | >14 (Schwarzenbach et al., 1993) |
| Storage Condition | Flammables area |
| Stability | Stable, but may be moisture sensitive. Highly flammable. Incompatible with strong oxidizing agents. |
| Explosive Limit | ~7.7% |
| Refractive Index | n20/D 1.369(lit.) |
Trimethylpropane - Risk and Safety
| Risk Codes | R11 - Highly Flammable R38 - Irritating to the skin R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R65 - Harmful: May cause lung damage if swallowed R67 - Vapors may cause drowsiness and dizziness |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. |
| UN IDs | UN 1208 3/PG 2 |
| WGK Germany | 3 |
| RTECS | EJ9300000 |
| HS Code | 29011000 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | Reported as an impurity (0.2 wt %) in 99.0–99.7 wt % 2,3-dimethylbutane (Chevron Phillips, 2004). |
Trimethylpropane - Reference Information
| olfactory threshold (Odor Threshold) | 20ppm |
| Henry's Law Constant | 1.69(atm?m3/mol) at 25 °C (Mackay and Shiu, 1981) |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| production method | refining method: unsaturated compounds are washed and removed with concentrated sulfuric acid. Moisture can be removed by calcium chloride, phosphorus pentoxide, metal sodium or solid desiccant. |
| category | flammable liquid |
| explosive hazard characteristics | blastable when mixed with air |
| flammability hazard characteristics | flammability in case of open flame, high temperature and oxidant; Combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants and acids |
| fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam |
| auto-ignition temperature | 797 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:04
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