2,2,4-Trimethylpentane
2,2,4-Trimethylpentane
CAS: 540-84-1
Molecular Formula: C8H18
2,2,4-Trimethylpentane - Names and Identifiers
| Name | 2,2,4-Trimethylpentane |
| Synonyms | ISOOCTANE 2,2,4-Trimethylpentane ISOOCTANE FOR RESIDUE ANALYSIS 2,2,4-TRIMETHYLPENTANE, THM GRADE ISO-OCTANE R. G., REAG. ACS, REAG. PH. E UR. |
| CAS | 540-84-1 |
| EINECS | 208-759-1 |
| InChI | InChI=1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 |
2,2,4-Trimethylpentane - Physico-chemical Properties
| Molecular Formula | C8H18 |
| Molar Mass | 114.23 |
| Density | 0.692 g/mL at 25 °C(lit.) |
| Melting Point | -107 °C |
| Boling Point | 98-99°C(lit.) |
| Flash Point | 18°F |
| Water Solubility | INSOLUBLE |
| Solubility | water: insoluble |
| Vapor Presure | 41 mm Hg ( 21 °C) |
| Vapor Density | 3.9 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 0.692 (20/4℃) |
| Color | APHA: ≤10 |
| Exposure Limit | ACGIH TLV: TWA for all isomers 300 ppm (adopted). |
| Maximum wavelength(λmax) | ['λ: 205 nm Amax: 1.00', , 'λ: 225 nm Amax: 0.10', , 'λ: 254 nm Amax: 0.01'] |
| Merck | 14,5193 |
| BRN | 1696876 |
| pKa | >14 (Schwarzenbach et al., 1993) |
| Storage Condition | Store at +5°C to +30°C. |
| Stability | Stable. Highly flammable. Incompatible with oxidizing agents, reducing agents. |
| Explosive Limit | 1%(V) |
| Refractive Index | n20/D 1.391(lit.) |
| Physical and Chemical Properties | Character: colorless liquid. boiling point 99.25 ℃ freezing point -107.52 ℃ relative density 0.6919g/cm3 refractive index 1.3915 |
| Use | Is the determination of gasoline octane number (shock resistance) standard fuel, mainly used as gasoline, aviation gasoline and other additives, and organic synthesis of non-polar inert solvents |
2,2,4-Trimethylpentane - Risk and Safety
| Risk Codes | R11 - Highly Flammable R38 - Irritating to the skin R50/53 - Very 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. S60 - This material and its container must be disposed of as hazardous waste. 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 1262 3/PG 2 |
| WGK Germany | 1 |
| RTECS | SA3320000 |
| TSCA | Yes |
| HS Code | 2901 10 00 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: > 2500 mg/kg |
2,2,4-Trimethylpentane - Nature
Open Data Verified Data
colorless, transparent liquid. Insoluble in water, soluble in ether, soluble in alcohol, acetone, benzene, chloroform, etc. Its vapor and air can form an explosive mixture, which can cause combustion and explosion in case of open flame and high heat energy. The strong oxidant can cause combustion explosion.
Last Update：2024-01-02 23:10:35
2,2,4-Trimethylpentane - Preparation Method
Open Data Verified Data
obtained by refining with petroleum. Alternatively obtained by synthesis of isobutane with isobutene in the presence of anhydrous hydrogen fluoride.
Last Update：2022-01-01 09:25:27
2,2,4-Trimethylpentane - Use
Open Data Verified Data
used in organic synthesis, as solvent and as comparative sample for gas chromatography. In the cylinder of internal combustion engine combustion shock resistance is good, is an excellent engine fuel. It is a standard fuel for the determination of octane number (shock resistance) of gasoline, which is mainly used as an additive for gasoline, aviation gasoline, etc., and a non-polar inert solvent in organic synthesis.
Last Update：2022-01-01 09:25:27
2,2,4-Trimethylpentane - Safety
Open Data Verified Data
has a stimulating effect. Inhalation or oral administration is harmful to the body. Its vapor or mist has a irritating effect on the eyes, skin, mucous membranes and upper respiratory tract. Store in a cool, ventilated warehouse. Keep away from fire and heat source. The bin temperature should not exceed 30 ℃. Protection from direct sunlight. Keep the container sealed. Should be stored separately from the oxidant.
Last Update：2022-01-01 09:25:28
2,2,4-Trimethylpentane - Reference Information
| relative polarity | -0.4 |
| olfactory Threshold | 0.11ppm |
| freezing point | -107.52 ℃ |
| Henry's Law Constant | 3.23 at 25 °C (Mackay and Shiu, 1981) |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| purpose | is a standard fuel for the determination of gasoline octane number (shock resistance), mainly used as additives for gasoline, aviation gasoline, etc, as well as organic synthesis of non-polar inert solvent used as analytical reagents and solvents Isooctane is a test of gasoline antiknock performance of the standard material. The octane numbers of isooctane and heptane are set at 100 and 0, respectively. Gasoline samples in a single cylinder engine, under the specified test conditions, the anti-explosion performance of such as isooctane-heptane mixture equivalent to a certain composition, the octane number of the sample is then equal to the volume percentage of ISO-isane in the standard fuel. Anti-knock performance of high gasoline octane number. organic synthesis. Solvent. The octane number of the fuel oil was measured. Standard for gas chromatographic analysis. Diluent. |
| production method | is obtained by petroleum refining and can also be prepared by synthetic methods. For example, isobutane is reacted with isobutene in the presence of anhydrous hydrogen fluoride. Isooctane can also be obtained by distilling and hydrogenating isobutylene polymer, which is a by-product of 264 antioxidant. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | Reference range inhalation-rat LC: 20000 mg/m3/2 h |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam |
| spontaneous combustion temperature | 745 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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