Cetyl Chloride

What is Cetyl Chloride cas no. 4860-03-1,a producer telling you the result.

CAS NO. 4860-03-1

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To begin with, let us tell you what is the basic information of  Cetyl Chloride

Flash Point

138.1±3.4 °C

Molecular Weight 

260.886

Density  

0.9±0.1 g/cm3 

MSDS  

Document    

Molecular Formula

C16H33Cl

Melting Point 

8-14 °C(lit.)

Boiling Point   

321.8±5.0 °C at 760 mmHg

 

 

Like many stuff, it has many synonyms as follows

EINECS 225-461-7

Palmityl chloride

1-Chlorhexadecan

1-Cyclohexadecane

Palmityl chloride

1-Chlorhexadecan

1-chloro-hexadecane

1-CHLOROHEXADECYNE

1-Hexadecylchlorid

chlorohexadecane

1-hexadecane chloride

1-chloro-hexadecan

CETYL CHLORIDE

hexadecanoyl chloride

1-Chlorohexadecane

Hexadecyl Chloride

Hexadecane, 1-chloro-

1-chloro-hexadecane

1-CHLOROHEXADECYNE

1-Hexadecylchlorid

chlorohexadecane

1-hexadecane chloride

The chemical is very special,so we want to show some special properties as follows

Computational Chemistry Data

1. Reference value for hydrophobic parameter calculation (XlogP): 9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 0

4. Number of rotatable chemical bonds: 14

5. Topological molecular polarity surface area (TPSA): 0

6. Number of heavy atoms: 17

7. Surface charge: 0

8. Complexity: 123

9. Number of Isotope Atoms: 0

10. Determine the number of atomic structure centers: 0

11. Number of uncertain atomic construction centers: 0

12. Determine the number of chemical bond stereocenters: 0

13. Number of uncertain chemical bond stereocenters: 0

14. Number of covalent bond units: 1

Second, the Synthetic Route we will recommend is the most important for your reference?

 

 

main synthesis lines as follows

Third, what is the usage of  Cetyl Chloride ?   pleas see below

mainly used one of Organic synthesis intermediates, also used as surfactants.

A. One kind of raw material for producing  (3-hexadecyloxysulfonyl-propyl)-trimethyl-ammonium, chloride cas no. 66143-63-3

B. One kind of raw material for producing  1-hexadecylsulfanylhexadecane   cas no. 3312-77-4

C.. One kind of raw material for producing  2-carboxybenzenediazonium,chloride  cas no. 4661-46-5 

,which is as follows

Besides Safety Information is also important when handling it

Dangerous Goods Sign      Xi

Hazard Category Code 36/37/38

Safety instructions 26-36

Dangerous goods transport number UN 3082 9/PG 3

WGK Germany    3

TSCA                   Yes

Customs code 29031980

Main irritant effects

On the eyes: May cause inflammation

Sensitization: No known sensitization effects

What is the appearance of  it ?   Please see the picture of Cetyl Chloride below

Specification of it is below

Apperance: colorless clear liquid

Assay: 99% min by GC

 

HNMR  picture of  Cetyl Chloride ,cas no. 4860-03-1   is as follows 

Raman spectra is as follows

IR picture is as follows

Reference of  Article cited for your reference below,

  1. how to hand it from pubchem

2.Laboratory Chemical Safety Summary (LCSS) Datasheet  cited by pubchem

3.CAS Common Chemistry is an open community resource for accessing chemical information. Nearly 500,000 chemical substances from CAS REGISTRY cover areas of community interest, including common and frequently regulated chemicals, and those relevant to high school and undergraduate chemistry classes. This chemical information, curated by our expert scientists, is provided in alignment with our mission as a division of the American Chemical Society. 

4.Study of moisture sorption behavior of urea inclusion compounds with aliphatic guests and with linear polymers

DOI: 10.1002/poc.3239

Publication Date: 2013

Publication Name: Journal of Physical Organic Chemistry