(~2~H_12_)Pentane

Basic Information

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CAS Number

2031-90-5

Molecular Formula

C5D12

Molecular Weight

84.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-130 °C

Boiling Point

36 °C

Refractive Index

n20/D 1.358(lit.)

SMILES

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CCCCC

InChI

InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3/i1D3,2D3,3D2,4D2,5D2

InChIKey

OFBQJSOFQDEBGM-HYVJACIRSA-N

LogP

2.1965000000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

7.5

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H304 May be fatal if swallowed and enters airways
Aspiration hazard

H336 May cause drowsiness or dizziness
Specific target organ toxicity, single exposure; Narcotic effects

Hazard Class

Class 3 Class 3

Sensitiveness

Light Sensitive

Synonyms & References

English

Q13640587
deuterated pentane
MFCD00190495
1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 5-dodecadeuteriopentane
Pentane-d12
DTXSID00174199
AKOS015903382
D97992
PENTANE-1,1,1,2,2,3,3,4,4,5,5,5-D12
Pentane-d12, 98 atom % D
2031-90-5
N-PENTANE-D12
1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane
J-013212
pentane-D12
dodecadeuterio-pentane
n-Deuteropentan
n-Pentane-d121000µg
Perdeuteriopentan

MDL Number

MFCD00190495

FAQ

What are the physical and chemical properties of (~2~H_12_)Pentane (CAS: 2031-90-5)?

The (~2~H_12_)Pentane (CAS: 2031-90-5) is a colorless liquid with a boiling point of 36.1°C and a molecular weight of approximately 74.15 g/mol. It is moderately soluble in water but miscible with many organic solvents. It is relatively stable chemically, but it can undergo combustion with oxygen. It is used as a solvent and in the synthesis of other compounds.

How is (~2~H_12_)Pentane (CAS: 2031-90-5) typically synthesized?

(~2~H_12_)Pentane (CAS: 2031-90-5) is typically synthesized via catalytic hydrogenation of 2-methylbutane or via the reduction of 2-methylbutanal. The process involves the use of a hydrogenation catalyst such as palladium or platinum on an inert support. The yield is high, and the product is isolated by distillation.

What industries use (~2~H_12_)Pentane (CAS: 2031-90-5)?

(~2~H_12_)Pentane (CAS: 2031-90-5) is used in various industries including pharmaceuticals, as a solvent in organic synthesis, and in the production of polymers. It is also utilized in the chemical sensor industry for gas detection applications.

What precautions should be taken when handling (~2~H_12_)Pentane (CAS: 2031-90-5)?

(~2~H_12_)Pentane (CAS: 2031-90-5) should be handled in a well-ventilated area and with appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a cool, dry place, away from sources of ignition. In case of a spill, immediately clean up using appropriate absorbents and follow the safety data sheet (SDS) for further instructions.