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LC3068 Isooctane

for spectroscopy


Order number Packaging Quantity Price €
AC30068 Glass bottle 500 ml 36.00
AC30068 Glass bottle 2.5 L 140.40


Product information
Synonyms 2,2,4-Trimethylpentane, Isobutyltrimethylmethane
Hill Formula C8H18
Chemical formula CH3C(CH3)2CH2CH(CH3)CH3
HS Code 2901 10 00
EC number 208-759-1
Molar mass 114.23 g/mol
EC index number 601-009-00-8
CAS number 540-84-1


Chemical and physical data
Ignition temperature 410 °C
Solubility 0.56 mg/l (25 °C)
Saturation concentration (air) 239 g/m3 (20 °C)
Melting point -107 °C
Molar mass 114.23 g/mol
Density 0.69 g/cm3 (20 °C)
pH value (H2O) neutral
Boiling point 99 °C (1013 hPa)
Vapor pressure 51 hPa (20 °C)
Explosion limit 1 – 5.5 %(V)
Flash point -12 °C
Evaporation number 2.3


Safety information according to GHS
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/sparks/open flames/hot surfaces. – No smoking.
P240: Ground/bond container and receiving equipment.
P273: Avoid release to the environment.
P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P331: Do NOT induce vomiting.
P403 + P235: Store in a well-ventilated place. Keep cool.
Signal Word Danger
Hazard Pictogram(s)

RTECS SA3320000
Storage class 3 Flammable Liquids
WGK WGK 2 water endangering

Strongly contaminated halogen-free organic solvents: container A.


Safety information
R Phrase R 11-38-50/53-65-67
Highly flammable.Irritating to skin.Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.Harmful: may cause lung damage if swallowed.Vapours may cause drowsiness and dizziness.
S Phrase S 9-16-29-33-60-61-62
Keep container in a well-ventilated place.Keep away from sources of ignition – No smoking.Do not empty into drains.Take precautionary measures against static discharges.This material and its container must be disposed of as hazardous waste.Avoid release to the environment. Refer to special instructions/ Safety data sheets.If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
Categories of danger highly flammable, irritant, dangerous for the environment, harmful
Hazard Symbol Flammable
Dangerous for the environment


Transport information
Declaration (transport by sea) IMDG-Code UN 1262 OCTANES, 3, II
Declaration (transport by air) IATA-DGR UN 1262 OCTANES, 3, II


Toxicological data
LD 50 oral LD50 rat > 2500 mg/kg


Purity (GC) ≥ 99.8 %
Evaporation residue ≤ 0.0005 %
Water ≤ 0.005 %
Colour ≤ 10 Hazen
Acidity ≤ 0.0005 meq/g
Alkalinity ≤ 0.0002 meq/g
– as quinine at 254 nm
≤ 1 ppb
– as quinine at 365 nm ≤ 1 ppb
– at 205nm
≥ 10 %
– at 215 nm ≥ 50 %
– at 225 nm ≥ 80 %
– at 235 nm ≥ 90 %
– from 255 nm ≥ 98 %


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