ChemicalBook--->CAS DataBase List--->544-76-3

544-76-3

544-76-3 Structure

544-76-3 Structure
IdentificationMore
[Name]

N-HEXADECANE-D34
[CAS]

544-76-3
[Synonyms]

HEXADECANE-D34
N-HEXADECANE-D34
Bioctyl
Hexeadecane
n-Cetane
n-Hexadecylhydride
HEXADECANE, REAGENTPLUS, 99%
N-HEXADECANE, 1000MG, NEAT
#nn-Hexadecane
N-HEXADECANE OEKANAL
HEXADECANE, FREE OF OLEFINS
HEXADECANE, STANDARD FOR GC
HEXADECANE, ANHYDROUS, 99+%
Hexadecane,Certified
Hexadecan
n-Hexadecane,99.5+%
n-Hexadecane,99%
n-Hexadecane,92+%
HEXADECANE,OMNISOLV
HEXADECANE,REAGENT
[EINECS(EC#)]

208-878-9
[Molecular Formula]

C16D34
[MDL Number]

MFCD00144893
[Molecular Weight]

260.65
[MOL File]

544-76-3.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

18 °C(lit.)
[Boiling point ]

287 °C(lit.)
[density ]

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

7.8 (vs air)
[vapor pressure ]

1 mm Hg ( 105.3 °C)
[refractive index ]

n20/D 1.434(lit.)
[Fp ]

275 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Soluble in alcohol, acetone, ether.
[form ]

Liquid
[color ]

Colorless
[Specific Gravity]

0.775 (25/4℃)
[Stability:]

Stable. Substances to be avoided include strong oxidizing agents. Combustible. Hygroscopic.
[Water Solubility ]

This product is soluble in acetone, alcohol, ether. It is insoluble in water.Soluble in alcohol, acetone, chloroform, and ether. insoluble in water
[Specific Heat Capacity]

Cp(liquid):501.6J/(g·K),at 25℃
[Thermal Conductivity]

0.139 W/(m·K) at 25 ℃
[Detection Methods]

GC
[BRN ]

1736592
[Henry's Law Constant]

2.1×10-5 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[Cosmetics Ingredients Functions]

SKIN CONDITIONING - EMOLLIENT
[InChI]

1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
[InChIKey]

DCAYPVUWAIABOU-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCCCCCC
[LogP]

8.2 at 25℃
[Surface tension]

27.57mN/m at 293.15K
[CAS DataBase Reference]

544-76-3(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
[EPA Substance Registry System]

Hexadecane (544-76-3)
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 ]

R38:Irritating to the 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
[RTECS ]

ML9200000
[Autoignition Temperature]

395 °F
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29011000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Asp. Tox. 1
[Hazardous Substances Data]

544-76-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

ZINC-->1-Hexadecene-->tetrakis(methylthio)methane-->TRIS(METHYLTHIO)METHANE-->3-HYDROXY-3-PHENYL-PROPIONIC ACID-->4-Isopropenylphenol-->1-Iodododecane-->Dodecyl methyl sulfide-->Nonadecane
[Preparation Products]

Cetyltributylphosphonium bromide-->3-Hexadecanol-->ORANILE-->5-Methylpentadecane-->N-NONANE-->2-METHYLHEPTANE
Hazard InformationBack Directory
[General Description]

Colorless liquid.
[Reactivity Profile]

Saturated aliphatic hydrocarbons, such as N-HEXADECANE(544-76-3), 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.
[Air & Water Reactions]

Flammable. Insoluble in water.
[Health Hazard]

ACUTE/CHRONIC HAZARDS: Flammable.
[Fire Hazard]

Combustible.
[Description]

Hexadecane (also known as n-hexadecane) can be used as a phase-change material (PCM) for thermal energy storage. PCM-16 macromolecular capsules prepared from hexadecane hold potential for application in thermal packaging, construction and protective clothing. Their basic physical properties are as follows[1]:
The basic physical properties of PCM-16
[Chemical Properties]

colourless liquid
[Uses]

Hexadecane is a component of gasoline, and is used as a solvent, organic intermediate, ignition standard for diesel fuels, and as stock for hydrocracking processes.
[Definition]

ChEBI: Hexadecane is a straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper. It has a role as a plant metabolite, a volatile oil component and a non-polar solvent.
[Purification Methods]

Pass cetane through a column of silica gel and distil it under vacuum in a column packed with Pyrex helices. Store it over silica gel. It also crystallises from acetone, or fractionally crystallise it by partial freezing. [Beilstein 1 IV 537.]
[References]

[1] Adam K Puszkarz, Waldemar M., Emilia Śmiechowicz. (2025). Thermal Performance Evaluation of Encapsulated Phase Change Materials Exposed to Contact Heat and Radiant Heat. Materials, 18 18. https://doi.org/10.3390/ma18184271
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

hexadecane(544-76-3).msds
Spectrum DetailBack Directory
[Spectrum Detail]

N-HEXADECANE-D34(544-76-3)MS
N-HEXADECANE-D34(544-76-3)1HNMR
N-HEXADECANE-D34(544-76-3)13CNMR
N-HEXADECANE-D34(544-76-3)IR1
N-HEXADECANE-D34(544-76-3)IR2
N-HEXADECANE-D34(544-76-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Hexadecane,99%(544-76-3)
[Alfa Aesar]

n-Hexadecane, 99.5+%(544-76-3)
[Sigma Aldrich]

544-76-3(sigmaaldrich)
[TCI AMERICA]

Reference Material for Flash Point Certified by The Japan Petroleum Institute, Hexadecane(544-76-3)
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