ChemicalBook--->CAS DataBase List--->629-94-7

629-94-7

629-94-7 Structure

629-94-7 Structure
IdentificationMore
[Name]

N-HENEICOSANE
[CAS]

629-94-7
[Synonyms]

ALKANE C21
HENEICOSANE
HENICOSANE
N-HENEICOSANE
n-Henicosane
N-ENEICOSANE
HENEICOSANE, STANDARD FOR GC
N-HENEICOSANE 99+%
Jenicosane.
uneicosane
n-Heneicosane [Standard Material]
[EINECS(EC#)]

211-118-9
[Molecular Formula]

C21H44
[MDL Number]

MFCD00009346
[Molecular Weight]

296.57
[MOL File]

629-94-7.mol
Chemical PropertiesBack Directory
[Appearance]

white waxy solid
[Melting point ]

39-41 °C(lit.)
[Boiling point ]

100 °C2 mm Hg(lit.)
[density ]

0,792 g/cm3
[vapor density ]

10.3 (vs air)
[vapor pressure ]

<1 mm Hg ( 20 °C)
[refractive index ]

1.4352 (589.3 nm 45℃)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator
[solubility ]

Chloroform, Hexane
[form ]

Crystalline Chunks, Crystals, or Flakes
[color ]

White
[Odor]

at 100.00?%. waxy
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[BRN ]

1748500
[Major Application]

petroleum
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
[InChIKey]

FNAZRRHPUDJQCJ-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCCCCCCCCCCC
[LogP]

11.406 (est)
[CAS DataBase Reference]

629-94-7(CAS DataBase Reference)
[EPA Substance Registry System]

Heneicosane (629-94-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

211-118-9
[TSCA ]

Yes
[HS Code ]

29011000
[Storage Class]

11 - Combustible Solids
[Hazardous Substances Data]

629-94-7(Hazardous Substances Data)
Hazard InformationBack Directory
[General Description]

Crystals.
[Reactivity Profile]

Saturated aliphatic hydrocarbons, such as N-HENEICOSANE(629-94-7), 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]

Insoluble in water.
[Chemical Properties]

white waxy solid
[Uses]

Heneicosane is a long chain saturated aliphatic hydrocarbon found in coal tars and fossil organic matter. Heneicosane has a high flashpoint which makes it an inefficient fuel for use in the petrochemical industry. Heneicosane is usually present in the form of paraffin wax.
[Definition]

ChEBI: An alkane that has 21 carbons and a straight-chain structure. It has been isolated from plants like Periploca laevigata and Carthamus tinctorius.
[Synthesis Reference(s)]

Tetrahedron Letters, 17, p. 2643, 1976 DOI: 10.1016/S0040-4039(00)91757-X
[Synthesis]

Preparation method for one-time preparation of n-hexadecane in the following steps:

(1). Mix 1510.5 g (10 mol) of n-pentyl bromide and 3053.5 g (10 mol) of n-hexadecyl bromide to form a bromoalkane mixture, and set aside;

(2). Weigh 483 g (

Spectrum DetailBack Directory
[Spectrum Detail]

N-HENEICOSANE(629-94-7)MS
N-HENEICOSANE(629-94-7)1HNMR
N-HENEICOSANE(629-94-7)13CNMR
N-HENEICOSANE(629-94-7)IR1
N-HENEICOSANE(629-94-7)IR2
N-HENEICOSANE(629-94-7)IR3
N-HENEICOSANE(629-94-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Heneicosane, 98%(629-94-7)
[Alfa Aesar]

n-Heneicosane, 99%(629-94-7)
[Sigma Aldrich]

629-94-7(sigmaaldrich)
[TCI AMERICA]

Heneicosane,>99.0%(GC)(629-94-7)
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