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593-45-3

593-45-3 Structure

593-45-3 Structure
IdentificationMore
[Name]

Octadecane
[CAS]

593-45-3
[Synonyms]

ALKANE C18
N-OCTADECANE
OCTADECANE
Octadecan
OCTADECANE, STANDARD FOR GC
N-OCTADECANE, 1000MG, NEAT
#nn-Octadecane
OCTADECANE, FREE OF OLEFINS
N-OCTADECANE OEKANAL
OCTADECANE 99+%
N-OCTADECANE 97%
N-OCTADECANE, TECHNICAL GRADE, 90%
N-OCTADECANE GC STANDARD
n-Octadecane,tech.,90%
n-Octadecane,99%
n-octadecane, tech.
n-Octadecane, 99.5+%
Octadecane [Standard Material]
[EINECS(EC#)]

209-790-3
[Molecular Formula]

C18H38
[MDL Number]

MFCD00009007
[Molecular Weight]

254.49
[MOL File]

593-45-3.mol
Chemical PropertiesBack Directory
[Appearance]

white crystals or powder
[Melting point ]

28 °C
[Boiling point ]

317 °C(lit.)
[density ]

0.777 g/mL at 25 °C(lit.)
[vapor density ]

8.8 (vs air)
[vapor pressure ]

1 mm Hg ( 119 °C)
[refractive index ]

1.4390
[Fp ]

330 °F
[storage temp. ]

room temp
[solubility ]

<0.0001g/l insoluble
[form ]

Crystalline Mass/Melt
[color ]

White
[Specific Gravity]

0.7822
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

No rapid reaction with water.
[Specific Heat Capacity]

Cp(crystal):1.90813J/(g·K),at 25℃
[Thermal Conductivity]

0.138 W/(m·K) at 25 ℃
[BRN ]

1740138
[Henry's Law Constant]

1.6×10-6 mol/(m3Pa) at 25℃, Eastcott et al. (1988)
[Major Application]

petroleum
[Cosmetics Ingredients Functions]

SOLVENT
PERFUMING
SKIN CONDITIONING
SKIN CONDITIONING - EMOLLIENT
[InChI]

1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
[InChIKey]

RZJRJXONCZWCBN-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCCCCCCCC
[LogP]

9.32 at 20℃
[CAS DataBase Reference]

593-45-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Octadecane(593-45-3)
[EPA Substance Registry System]

593-45-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Danger
[Hazard statements ]

H304
[Precautionary statements ]

P301+P310-P331-P405-P501
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Autoignition Temperature]

455 °F
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29011000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Asp. Tox. 1
[Hazardous Substances Data]

593-45-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Methylheptadecane-->N-Tetratriacontane-->Potassium stearate-->Oleic acid-->Stearic acid-->Acetic acid
[Preparation Products]

softener VS-->sixdecyl-octadecyl trimethyl ammorium chloride-->n-Heptadecane-->ORANILE-->2-Methylheptane
Hazard InformationBack Directory
[General Description]

Colorless liquid.
[Reactivity Profile]

Saturated aliphatic hydrocarbons, such as N-OCTADECANE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, they burn exothermically to produce carbon dioxide and water.
[Fire Hazard]

Combustible.
[Chemical Properties]

white crystals or powder
[Uses]

n-octadecane is used as a solvent, a lubricant, transformer oil and an anti-corrosion agent. It is also used in paraffin and as a chemical intermediate in organic synthesis. It plays an important role in pheromones as a chemical messenger. N-Octadecane/ molecular sieve 5A composites find application as thermal storage material.
[Definition]

ChEBI: A straight-chain alkane carrying 18 carbon atoms.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 52, p. 472, 1987 DOI: 10.1021/jo00379a037
Tetrahedron Letters, 31, p. 5093, 1990 DOI: 10.1016/S0040-4039(00)97814-6
[Properties and Applications]

Octadecane (n-Octadecane) is part of the paraffin family; its chemical formula is C18H38, and it is a solid at room temperature. Its melting point lies between 28 and 30 °C, its heat capacity is 2.22 J/K·g, and its viscosity is 4.21 mPa·s (20 °C). During the phase transition, the thermal conductivity changes from 0.198 W/m·K (solid) to 0.222 W/m·K (liquid). Octadecane can be used as a phase-change material (PCM) to prepare novel phase-change composites suitable for building cooling applications. Recycled aluminium was added to these composites at concentrations of 7% and 7.5% (by volume) as a thermal conductivity enhancer to prevent sinking during the molten phase and to improve thermal conductivity. Furthermore, research has shown that, compared to octadecane, the addition of aluminium shavings can increase the thermal conductivity of the composite by 100% (octadecane-short aluminium) and 600% (octadecane-long aluminium), whereas the mass increase remains relatively low[1].
[Purification Methods]

Crystallise it from acetone and distil it from sodium in a vacuum. [Beilstein 1 IV 553.]
[References]

[1] Nicoleta Cobîrzan. (2025). Properties of n-Octadecane PCM Composite with Recycled Aluminum as a Thermal Enhancer. Materials, 18 24. https://doi.org/10.3390/ma18245638
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

octadecane(593-45-3).msds
Questions And AnswerBack Directory
[Description]

Octadecane is an alkane hydrocarbon that has the molecular formula CH3(CH2)16CH3. It is a straight-chain alkane that carries 18 carbon atoms. Octadecane has a role as a plant metabolite and a bacterial metabolite. It is found in alcoholic beverages, hop oil, aband other plant resources. Octadecane is a colorless liquid that has a fuel-like smell. It is soluble in water, slightly soluble in ethanol and soluble. It is also soluble in acetone, ethyl ether, chloroform, petroleum, ether, and coal tar hydrocarbons.
Spectrum DetailBack Directory
[Spectrum Detail]

Octadecane(593-45-3)MS
Octadecane(593-45-3)1HNMR
Octadecane(593-45-3)13CNMR
Octadecane(593-45-3)IR1
Octadecane(593-45-3)IR2
Octadecane(593-45-3)IR3
Octadecane(593-45-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Octadecane, 99+%(593-45-3)
[Alfa Aesar]

n-Octadecane, tech., 90%(593-45-3)
[Sigma Aldrich]

593-45-3(sigmaaldrich)
[TCI AMERICA]

Octadecane,>98.0%(GC)(593-45-3)
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