2-Methylundecane

Basic Information

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CAS Number

31807-55-3

Molecular Formula

C12H26

Molecular Weight

170.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-70°C

Boiling Point

170-195°C

Water Solubility

Immiscible with water.

Refractive Index

1.4210

SMILES

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CCCCCCCCCC(C)C

InChI

InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3

InChIKey

GTJOHISYCKPIMT-UHFFFAOYSA-N

LogP

4.494900000000004

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

74.1

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H304 May be fatal if swallowed and enters airways
Aspiration hazard

Hazard Class

Class 3 Class 3

Synonyms & References

English

UNII-H40FL8477B
AKOS015912736
ISODODECANE
Isododecane; Fancol ID; Hyfrane 120; Permethyl 99; Permethyl 99A; Purolan IDD
H40FL8477B
EINECS 250-816-8
isodo-decane
2-Methylundecane
Q2813826
2-Methylhendecane
M0239
Undecane, 2-methyl-
FT-0715064
31807-55-3
2 2 4 6 6-PENTAMETHYLHEPTANE
DTXSID50873241
MFCD00036106
NS00007977
EINECS 230-323-4
7045-71-8
Isododecane
230-323-4
undecane, 2-methyl-
Fancol ID
Hyfrane 120
Permethyl 99
Permethyl 99A

MDL Number

MFCD00026334

FAQ

What are the physical and chemical properties of 2-Methylundecane (CAS: 31807-55-3)?

2-Methylundecane is a colorless, flammable, and highly volatile hydrocarbon with a boiling point of 208.8°C. Its molecular weight is 154.28 g/mol and it is slightly soluble in water but soluble in organic solvents. It is not particularly reactive under normal conditions but can undergo combustion and some organic reactions such as halogenation and alkylation.

How is 2-Methylundecane (CAS: 31807-55-3) typically synthesized?

2-Methylundecane can be synthesized through the hydroformylation of propionaldehyde followed by hydrodealkylation. Alternatively, it can be obtained by catalytic cracking of heavier hydrocarbons or through the reduction of 2-methyl-undecanone. The synthesis process typically involves the use of rhodium-based catalysts with high selectivity and yields.

What industries use 2-Methylundecane (CAS: 31807-55-3)?

2-Methylundecane is used in various industries, including the production of fragrances and perfumes due to its pleasant aroma. It is also utilized in the formulation of lubricants and as a solvent in organic synthesis. Additionally, it can be found in some personal care products and as a component in certain chemical processes.

What precautions should be taken when handling 2-Methylundecane (CAS: 31807-55-3)?

When handling 2-Methylundecane, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Store it in a cool, well-ventilated area away from heat sources and ignition hazards. In case of spill, ensure proper containment and clean-up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.