2,2,3-trimethylbutane

C7H16

CAS464-06-2
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
464-06-2
EC Number
207-346-3
UN Number
1206
Index Number
601-008-00-2
PubChem CID
10044

Physical-chemical properties

Molecular Formula
C7H16
Molar Mass
100.20 g/mol
IUPAC Name
2,2,3-trimethylbutane

Chemical Identifiers

InChI
InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3
InChI Key
ZISSAWUMDACLOM-UHFFFAOYSA-N

Overview

2,2,3-trimethylbutane (CAS 464-06-2) is a branched-chain alkane hydrocarbon with high octane rating properties and significant flammability characteristics. This saturated hydrocarbon represents one of the structural isomers of heptane, featuring a highly branched molecular architecture that distinguishes it from linear alkanes. With its molecular formula C7H16 and molecular weight of 100.2 g/mol, 2,2,3-trimethylbutane exhibits unique physical and chemical properties that make it valuable in specialized industrial applications. The compound's branched structure, similar to other highly branched hydrocarbons like 3-ethyl-3-methylpentane, contributes to its excellent anti-knock characteristics in fuel applications. From a safety perspective, 2,2,3-trimethylbutane requires careful handling due to its classification as a Category 2 flammable liquid with aspiration toxicity hazards. The substance presents multiple safety concerns including skin irritation potential, specific target organ toxicity affecting the central nervous system, and significant aquatic toxicity. Its ADR Class 3 designation reflects the fire and explosion risks associated with its volatile nature, necessitating appropriate storage conditions and fire prevention measures in industrial settings. The compound finds primary applications in fuel research and development, particularly in octane rating studies and fuel formulation research. Its high branching degree makes it valuable as a reference standard in petroleum chemistry and as a component in specialty fuel blends. Additionally, it serves as a chemical intermediate in certain synthetic processes and as a solvent in specific laboratory applications where its unique properties are advantageous. OYSI maintains reliable supply channels for 2,2,3-trimethylbutane to support European industrial customers requiring this specialized hydrocarbon for technical applications.

Safety & Classification

Danger
Classification:

Flam. Liq. 2; Asp. Tox. 1; STOT SE 3; Skin Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H225

Highly flammable liquid and vapour.

H304

May be fatal if swallowed and enters airways.

H336

May cause drowsiness or dizziness.

H315

Causes skin irritation.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Inhalation

Irritant

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Toxic

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number1206
ADR Class3
Packing GroupII
Tunnel CodeD/E
Proper Shipping Name2,2,3-Trimethylbutan
Marine PollutantNo

Frequently Asked Questions

What is 2,2,3-trimethylbutane?

2,2,3-trimethylbutane is a branched saturated hydrocarbon with the molecular formula C7H16 and CAS number 464-06-2. This alkane belongs to the family of heptane isomers and has a molecular weight of 100.2 g/mol. It is classified as a flammable liquid with significant health and environmental hazards, requiring careful handling and storage procedures in industrial applications.

What are the physicochemical properties of 2,2,3-trimethylbutane?

2,2,3-trimethylbutane is a colorless liquid at room temperature with characteristic hydrocarbon odor. As a nonpolar alkane, it exhibits low solubility in water but high solubility in organic solvents. The compound has a relatively low boiling point typical of branched heptane isomers and displays high volatility, contributing to its flammable nature and potential for vapor formation.

What is 2,2,3-trimethylbutane used for?

2,2,3-trimethylbutane is primarily used as a solvent in industrial processes and as a component in fuel formulations. Its branched structure makes it valuable in petrochemical applications where specific octane characteristics are required. The compound also serves as a research chemical and reference standard in analytical chemistry laboratories for calibration and testing purposes.

How to handle 2,2,3-trimethylbutane safely?

2,2,3-trimethylbutane requires strict safety measures due to its flammable and toxic properties. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas away from ignition sources, heat, and sparks. Avoid skin contact and inhalation as the substance can cause skin irritation and specific target organ toxicity affecting the central nervous system.

How to store 2,2,3-trimethylbutane correctly?

2,2,3-trimethylbutane must be stored in tightly sealed containers in cool, dry, well-ventilated areas away from heat sources, sparks, and open flames. Keep containers in a fire-resistant storage area with appropriate spill containment measures. Avoid storage near oxidizing agents and incompatible materials. Ensure proper grounding and bonding during transfer operations to prevent static electricity buildup.

What to do in case of contact with 2,2,3-trimethylbutane?

Immediate first aid is essential following exposure to 2,2,3-trimethylbutane. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. If inhaled, move to fresh air immediately and seek medical attention if respiratory symptoms develop. For eye contact, flush with clean water for at least 15 minutes. Never induce vomiting if ingested due to aspiration toxicity risk.

How to dispose of 2,2,3-trimethylbutane properly?

2,2,3-trimethylbutane must be disposed of as hazardous waste according to local and national environmental regulations. Contact licensed waste disposal companies for proper collection and treatment. Do not discharge into drains, soil, or water bodies due to its acute and chronic aquatic toxicity. Incineration at authorized facilities with appropriate emission controls is typically the preferred disposal method for this flammable organic compound.

How to transport 2,2,3-trimethylbutane?

2,2,3-trimethylbutane is classified as ADR Class 3 (flammable liquids), Packing Group II, requiring specific transport regulations compliance. Use approved packaging and labeling with appropriate hazard symbols including flammable liquid markings. Vehicles must carry proper documentation, emergency response information, and fire extinguishing equipment. Only trained personnel should handle transportation operations following dangerous goods transport protocols.

Is 2,2,3-trimethylbutane subject to specific regulations?

2,2,3-trimethylbutane is subject to various European chemical regulations including REACH registration requirements and CLP classification obligations. The substance is not currently listed as a Substance of Very High Concern (SVHC), but its multiple hazard classifications require compliance with occupational safety standards, environmental protection measures, and proper hazard communication through safety data sheets and labeling.

Where to buy 2,2,3-trimethylbutane in Europe?

2,2,3-trimethylbutane is available through OYSI, a leading European distributor of specialty chemicals and industrial solvents. OYSI provides high-quality chemical products with full regulatory compliance documentation including safety data sheets and certificates of analysis. Contact OYSI directly for availability, technical specifications, and delivery options across European markets for your specific application requirements.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.