| CAS # | EC Number | Hill Formula | Chemical Formula | Molar Mass | Grade Value |
|---|---|---|---|---|---|
| 540-84-1 | 208-759-1 | C₈H₁₈ | CH₃C(CH₃)₂CH₂CH(CH₃)CH₃ | 114.23 g/mol | ACS,Reag. Ph Eur |
| Description | |
|---|---|
| Catalogue Number | 104727 |
| Synonyms | 2,2,4-Trimethylpentane, Isobutyltrimethylmethane, iso-Octane |
| Description | Isooctane |
| Product Information | |
|---|---|
| CAS number | 540-84-1 |
| EC index number | 601-009-00-8 |
| EC number | 208-759-1 |
| Grade | ACS,Reag. Ph Eur |
| Hill Formula | C₈H₁₈ |
| Chemical formula | CH₃C(CH₃)₂CH₂CH(CH₃)CH₃ |
| Molar Mass | 114.23 g/mol |
| HS Code | 2901 10 00 |
| Physicochemical Information | |
|---|---|
| Boiling point | 99 °C (1013 hPa) |
| Density | 0.69 g/cm3 (15 °C) |
| Explosion limit | 1 %(V) |
| Flash point | -12 °C |
| Ignition temperature | 410 °C |
| Melting Point | -107 °C |
| Saturation concentration (air) | 239 g/m3 (20 °C) |
| Vapor pressure | 120 hPa (37.80 °C) |
| Solubility | 0.56 mg/l |
| Toxicological Information | |
|---|---|
| LD 50 oral | LD50 Rat > 2500 mg/kg |
| Safety Information according to GHS | |
|---|---|
| Hazard Pictogram(s) |         |
| Hazard Statement(s) | H225: Highly flammable liquid and vapour. H304: May be fatal if swallowed and enters airways. H315: Causes skin irritation. H336: May cause drowsiness or dizziness. H410: Very toxic to aquatic life with long lasting effects. |
| Precautionary Statement(s) | P210: Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233: Keep container tightly closed. P273: Avoid release to the environment. P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER/doctor. P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water. P331: Do NOT induce vomiting. P403 + P233: Store in a well-ventilated place. Keep container tightly closed. |
| Signal Word | Danger |
| RTECS | SA3320000 |
| Storage class | 3 Flammable liquids |
| WGK | WGK 2 obviously hazardous to water |
| Disposal | 1 Strongly contaminated halogen-free organic solvents: container A. |
| Storage and Shipping Information | |
|---|---|
| Storage | Store at +2°C to +30°C. |
| Specifications | |
|---|---|
| Purity (GC) | ≥ 99.5 % |
| Identity (IR) | conforms |
| Color | ≤ 10 Hazen |
| Acidity | ≤ 0.0003 meq/g |
| Density (d 20 °C/20 °C) | 0.691 – 0.696 |
| Refractive index (n 20/D) | 1.391 – 1.393 |
| Boiling range (98-100°C) | ≥ 95 % (v/v) |
| Sulfur compounds (as S) | ≤ 0.005 % |
| Readily carbonizable substances | conforms |
| Transmission (between 250nm and 420nm) | ≥ 98 % |
| Al (Aluminium) | ≤ 0.00005 % |
| B (Boron) | ≤ 0.000002 % |
| Ba (Barium) | ≤ 0.00001 % |
| Ca (Calcium) | ≤ 0.00005 % |
| Cd (Cadmium) | ≤ 0.000005 % |
| Co (Cobalt) | ≤ 0.000002 % |
| Cr (Chromium) | ≤ 0.000002 % |
| Cu (Copper) | ≤ 0.000002 % |
| Fe (Iron) | ≤ 0.00001 % |
| Mg (Magnesium) | ≤ 0.00001 % |
| Mn (Manganese) | ≤ 0.000002 % |
| Ni (Nickel) | ≤ 0.000002 % |
| Pb (Lead) | ≤ 0.00001 % |
| Sn (Tin) | ≤ 0.00001 % |
| Zn (Zinc) | ≤ 0.00001 % |
| Evaporation residue | ≤ 0.001 % |
| Water | ≤ 0.01 % |
| Corresponds to ACS, Ph Eur-reagent | |
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