2,2,4-Trimethylpentane, 99%, for spectroscopy, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10012080	Thermo Scientific Acros 167915000	500 mL	Glass Bottle
10225840	Thermo Scientific Acros 167910025	2.5 L	Glass Bottle

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

For UV/VIS spectroscopy

Chemical Identifiers

• CAS: 540-84-1
• Molecular Weight (g/mol): 114.232
• InChI Key: NHTMVDHEPJAVLT-UHFFFAOYSA-N
• PubChem CID: 10907
• IUPAC Name: 2,2,4-trimethylpentane

• Molecular Formula: C8H18
• MDL Number: MFCD00008943
• Synonym: isooctane, isobutyltrimethylmethane, pentane, 2,2,4-trimethyl, iso-octane, 2,4,4-trimethylpentane, unii-qab8f5669o, ch3 2chch2c ch3 3, 2, 2, 4-trimethylpentane, i-octane, isobutyltrimethylethane
• ChEBI: CHEBI:62805
• SMILES: CC(C)CC(C)(C)C

Specifications

• Melting Point: -107.0°C
• CAS: 540-84-1
• CAS Max %: 100.0
• Boiling Point: 98.0°C to 99.0°C
• Physical Form: Liquid
• Assay Percent Range: 99%
• Specific Gravity: 0.69
• Linear Formula: (CH₃)₂CHCH₂C(CH₃)₃
• Viscosity: 0.51 mPa.s (22°C)
• Water: 0.02% max.
• Synonym: isooctane, isobutyltrimethylmethane, pentane, 2,2,4-trimethyl, iso-octane, 2,4,4-trimethylpentane, unii-qab8f5669o, ch3 2chch2c ch3 3, 2, 2, 4-trimethylpentane, i-octane, isobutyltrimethylethane
• InChI Key: NHTMVDHEPJAVLT-UHFFFAOYSA-N
• IUPAC Name: 2,2,4-trimethylpentane
• PubChem CID: 10907
• Formula Weight: 114.23
• Grade: Spectroscopy

• Absorbance: 0.01 max. at 250nm, 0.01 max. at 400nm, 0.04 max. at 240nm, 0.1 max. at 230nm, 0.2 max. at 220nm, 1 max. at 210nm
• CAS Min %: 98.5
• Density: 0.6900g/mL
• Flash Point: −12°C
• Refractive Index: 1.3915
• Residue after Evaporation: 0.001% max.
• Molecular Formula: C8H18
• MDL Number: MFCD00008943
• Beilstein: 01, IV, 439
• Merck Index: 15, 5239
• Solubility Information: Solubility in water: insoluble. Other solubilities: slightly soluble in alcohol, soluble in benzene, toluene, xylene, chloroform,, dmf, ether, ccl4 and cs2, miscible with acetone, soluble in oils except castor oil
• SMILES: CC(C)CC(C)(C)C
• Molecular Weight (g/mol): 114.232
• ChEBI: CHEBI:62805
• Percent Purity: 99%
• Chemical Name or Material: 2, 2, 4-Trimethylpentane, 99%

Safety and Handling

GHS H Statement:
May be fatal if swallowed and enters airways.
Very toxic to aquatic life with long lasting effects.
May cause drowsiness or dizziness.
Causes skin irritation.
Highly flammable liquid and vapor.

GHS P Statement:
Avoid breathing dust/fume/gas/mist/vapors/spray.
IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician.
Do NOT induce vomiting.
Avoid release to the environment.
IF ON SKIN: Wash with plenty of soap and water.
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
Ground/Bond container and receiving equipment.

WARNING: The information provided on this web site was developed in compliance with European Union (EU) regulations and is correct to the best of our knowledge, information and belief at the date of its publication. The information given is designed only as a guide for safe handling and use. It is not to be considered as either a warranty or quality specification.

GHS Signal Word: Danger

missing translation for 'einecsNumber' : 208-759-1

missing translation for 'rtecsNumber' : SA3320000

missing translation for 'tsca' : TSCA

Product Identifier

• 2,2,4-Trimethylpentane

Signal Word

• Danger

Hazard Category

• LONG-TERM AQUATIC HAZARD Chronic 1
• ACUTE AQUATIC Acute 1
• Aspiration toxicity Category 1
• Flammable liquid Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H304-May be fatal if swallowed and enters airways.
• H400-Very toxic to aquatic life.
• H410-Very toxic to aquatic life with long lasting effects.
• H315-Causes skin irritation.
• H336-May cause drowsiness or dizziness.
• H225-Highly flammable liquid and vapour.

Precautionary Statement

• P210-Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• 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/ shower.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P331-Do NOT induce vomiting.

RUO – Research Use Only