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Pentane
[CAS 109-66-0]

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Identification
ClassificationChemical reagent >> Organic reagent >> Alkane
NamePentane
Molecular StructurePentane molecular structure (CAS 109-66-0)
Molecular FormulaC5H12
Molecular Weight72.15
CAS Registry Number109-66-0
EC Number203-692-4
SMILESCCCCC
Properties
Density0.7±0.1 g/cm3 Calc.*, 0.626 g/mL (Expl.)
Melting point-130 °C (Expl.)
Boiling point35.2±3.0 °C 760 mmHg (Calc.)*, 35 - 36 °C (Expl.)
Flash point-49.4 °C (Calc.)*, -49.4 °C (Expl.)
Solubility0.04 g/100g (Expl.)
Index of refraction1.371 (Calc.)*, 1.358 (Expl.)
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol symbol symbol symbol   GHS02;GHS07;GHS08;GHS09 DangerGHS02;  Details
Risk StatementsH225-H304-H336-H411  Details
Safety StatementsP210-P233-P240-P241-P242-P243-P261-P271-P273-P280-P301+P316-P303+P361+P353-P304+P340-P319-P331-P370+P378-P391-P403+P233-P403+P235-P405-P501  Details
Hazard Classification
up    Details
HazardClassCategory CodeHazard Statement
Chronic hazardous to the aquatic environmentAquatic Chronic2H411
Aspiration hazardAsp. Tox.1H304
Specific target organ toxicity - single exposureSTOT SE3H336
Flammable liquidsFlam. Liq.2H225
Flammable liquidsFlam. Liq.1H224
Specific target organ toxicity - single exposureSTOT SE3H335
Skin irritationSkin Irrit.2H315
Eye irritationEye Irrit.2H319
Transport InformationUN 1265
SDSAvailable
up chemBlink Chemical Story
A liquid can help make a lightweight solid without becoming the polymer that holds the solid together. n-Pentane, CAS 109-66-0, illustrates this role in foam production. Its volatility allows it to generate a gas phase as conditions change, helping create cells within a developing polymer. The resulting material owes its structure to the interaction between gas formation and the chemistry that builds the surrounding walls.

The molecule is the unbranched five-carbon alkane, C5H12. It differs from isopentane and neopentane, which have the same formula but different carbon skeletons, and from cyclopentane, which has a ring and a different hydrogen count. These distinctions matter when comparing blowing agents. A shared carbon count does not imply identical vapor pressure, boiling behavior, or behavior inside a formulation.

The normal boiling point lies near ordinary warm-weather temperatures, making evaporation an accessible physical process. Boiling temperature is nevertheless pressure-dependent, and evaporation occurs below the boiling point as well. The useful property is not a magical temperature switch but a balance of liquid-vapor equilibrium, heat input, and the surrounding mixture. Formulation changes can influence how much pentane remains dissolved and how much enters a gas phase.

In polyurethane foam, pentane functions as a physical blowing agent. This differs from chemical blowing in which a reaction generates a gas, such as carbon dioxide formed through water-isocyanate chemistry. Physical blowing changes the state of an added substance; chemical blowing creates a gaseous reaction product. Both can contribute to foam development, but their roles should not be described as if they were the same reaction.

The timing matters. Gas formation must occur while the polymer structure can expand and then retain the cells. If the evolving gas and the developing solid are poorly matched, the resulting cell structure can differ. This makes the blowing agent part of a coupled materials process rather than an ingredient whose effect can be predicted from its pure-liquid boiling point alone.

Published experiments have examined n-pentane within rigid polyurethane formulations, including systems containing expandable graphite. A 2023 study investigated how the blowing-agent amount related to morphology, mechanical behavior, and fire-test results in that particular composite. Such work demonstrates an actual materials application while keeping performance attached to the tested formulation, rather than treating pentane as a stand-alone flame retardant.

The gas in a foam also has a thermal role. Heat transfer depends on several contributions, including the polymer, the gas phase, and radiation through the cellular structure. Experimental measurements of blowing-agent vapor thermal conductivity provide information relevant to that problem. A low-density material is not automatically the best insulator merely because it contains less solid; cell structure and the contents of those cells remain important.

The origin of a pore should also be distinguished from the identity of its wall. A physical blowing agent helps generate the space, while polymer chemistry establishes the surrounding solid. Later changes in the gas occupying a cell do not necessarily mean that the polymer backbone has changed. This separation of roles is useful when comparing initial foam formation with the longer-term behavior of a finished insulation material under its intended conditions of use.

n-Pentane's chemical story therefore extends beyond being a small hydrocarbon solvent. It shows how a reversible phase change can help shape a lasting material. The pentane is not the polyurethane backbone, yet its physical behavior can influence the architecture formed around it. Understanding that distinction connects molecular volatility with the structure and performance of a manufactured foam.

References:
1. NIST Chemistry WebBook. Pentane, CAS 109-66-0: identity and phase-change data. https://webbook.nist.gov/cgi/cbook.cgi?ID=C109660&Mask=4
2. Xu et al. Effect of blowing agent content on the structure and flame-retardant properties of rigid polyurethane foam/expanded graphite composites. Polym Adv Technol. 2023. https://doi.org/10.1002/pat.5877
3. Heinemann T, Klaen W, Yourd R, Dohrn R. Experimental Determination of the Vapor Phase Thermal Conductivity of Blowing Agents for Polyurethane Rigid Foam. J Cell Plast. 2000. https://doi.org/10.1177/0021955X0003600104

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