CAS #: 540-84-1

Chemical Formula: CH₃C(CH₃)₂CH₂CH(CH₃)CH₃

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CAS #EC NumberHill FormulaChemical FormulaMolar MassGrade Value
540-84-1208-759-1C₈H₁₈CH₃C(CH₃)₂CH₂CH(CH₃)CH₃114.23 g/molACS,Reag. Ph Eur
Catalogue Number104727
Synonyms2,2,4-Trimethylpentane, Isobutyltrimethylmethane, iso-Octane
Product Information
CAS number540-84-1
EC index number601-009-00-8
EC number208-759-1
GradeACS,Reag. Ph Eur
Hill FormulaC₈H₁₈
Chemical formulaCH₃C(CH₃)₂CH₂CH(CH₃)CH₃
Molar Mass114.23 g/mol
HS Code2901 10 00
Physicochemical Information
Boiling point99 °C (1013 hPa)
Density0.69 g/cm3 (15 °C)
Explosion limit1 %(V)
Flash point-12 °C
Ignition temperature410 °C
Melting Point-107 °C
Saturation concentration (air)239 g/m3 (20 °C)
Vapor pressure120 hPa (37.80 °C)
Solubility0.56 mg/l
Toxicological Information
LD 50 oralLD50 Rat > 2500 mg/kg
Safety Information according to GHS
Hazard Pictogram(s)Hazard Pictogram(s)Hazard Pictogram(s)
Hazard Pictogram(s)Hazard Pictogram(s)
Hazard Pictogram(s)Hazard Pictogram(s)
Hazard Pictogram(s)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 WordDanger
Storage class3 Flammable liquids
WGKWGK 2 obviously hazardous to water
Strongly contaminated halogen-free organic solvents: container A.
Storage and Shipping Information
StorageStore at +2°C to +30°C.
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 substancesconforms
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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