1-Chlorooctadecane
- Iupac Name：1-chlorooctadecane
- CAS No.: 3386-33-2
- Molecular Weight：288.93938
- Modify Date.: 2022-11-29 11:27
- Introduction:
1-Chlorooctadecane, with the chemical formula C18H37Cl and CAS registry number 3386-33-2, is a compound known for its applications in various industries. This colorless liquid, also referred to as octadecyl chloride, is characterized by its chlorine functional group. It is commonly used as a surfactant, emulsifier, and lubricant in the production of various products, including cosmetics, detergents, and industrial coatings. 1-Chlorooctadecane is also used as a starting material in the synthesis of other organic compounds. It is important to handle this compound with caution, as it may cause skin and eye irritation. Overall, 1-Chlorooctadecane plays a significant role in the chemical industry due to its versatile properties and wide range of applications.
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1. Names and Identifiers
- 1.1 Name
- 1-Chlorooctadecane
- 1.2 Synonyms
1-Chloroctadecane 1-ChlorooCLadecane 1-chloro-octadecan 1-chloro-octadecane chloro-1-octadecane Chlorooctadecane EINECS 222-207-7 MFCD00000960 N-OCTADECYL CHLORIDE Octadecane, 1-chloro- octadecane,1-chloro Octadecyl chloride Octadecyl chloride,Stearyl chloride STEARYL CHLORIDE
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- 1.3 CAS No.
- 3386-33-2
- 1.4 CID
- 18815
- 1.5 EINECS(EC#)
- 222-207-7
- 1.6 Molecular Formula
- C18H37Cl (isomer)
- 1.7 Inchi
- InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
- 1.8 InChIkey
- VUQPJRPDRDVQMN-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CCCCCCCCCCCCCCCCCCCl
- 1.10 Isomers Smiles
- CCCCCCCCCCCCCCCCCCCl
2. Properties
- 2.1 Density
- 0.8596
- 2.1 Melting point
- 21.6℃
- 2.1 Boiling point
- 356℃
- 2.1 Refractive index
- 1.4515-1.4535
- 2.1 Flash Point
- 184℃
- 2.1 Precise Quality
- 288.25800
- 2.1 PSA
- 0.00000
- 2.1 logP
- 7.48670
- 2.1 Solubility
- 0.03 g/L (20 ºC)
- 2.2 Appearance
- Liquid
- 2.3 Storage
- Moisture Sensitive. Ambient temperatures.
- 2.4 Chemical Properties
- clear colorless to yellowish liquid after melting 1-Chlorooctadecane Preparation Products And Raw materials Preparation Products
- 2.5 Water Solubility
- 0.03 g/L (20 oC)
- 2.6 Stability
- Stable under normal temperatures and pressures.
- 2.7 StorageTemp
- Refrigerator
3. Use and Manufacturing
- 3.1 Methods of Manufacturing
- Preparation of n-octadecyl chloride in a semicontinuous process A 1 l jacketed glass reactor with a glass paddle stirrer and immersed tube for reactant metering is initially charged with 220 g of N-n-octylalkylpyridinium chloride (prepared according to Example 2) and adjusted to a temperature of 150° C. 447 g of n-octadecanol are introduced uniformly via an immersed tube over 5 hours. Gaseous hydrogen chloride is metered in via an immersed tube in a slight stoichiometric excess over the entire reaction time, and the water of reaction formed is simultaneously removed via distillation. The performance of the reaction and the workup of the reaction mixture are analogous to Example 4a. After a total reaction time of 8 h (including 3 hours of postreaction), the conversion based on n-octadecanol is 99.8percent.Example 7b Preparation of n-octadecyl chloride in a semicontinuous process The procedure corresponds to that of Example 7a with the exception that the catalyst used is an alkylpyridine hydrochloride. After a total reaction time of 8 h, the conversion based on the n-octadecanol is 62.7percent and, after a total reaction time of 39 h, it is 99.4percent.4-Dimethylaminopyridine Hydrochloride as Catalyst for Phosgene Synthesis
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5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin irritation, Category 2
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H315 Causes skin irritation H413 May cause long lasting harmful effects to aquatic life |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment. |
| Response | P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
3386-33-2Total: 7 Synthesis Route
9. Other Information
- 9.0 Mesh Entry Terms
- 1-chlorooctadecane
- 9.1 Production
- 1,000,000 - 10,000,000 lb
- 9.2 Manufacturing Info
- All other basic organic chemical manufacturing|Octadecane, 1-chloro-: ACTIVE
10. Computational chemical data
- Molecular Weight: 288.93938g/mol
- Molecular Formula: C18H37Cl
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 288.2583789
- Monoisotopic Mass: 288.2583789
- Complexity: 145
- Rotatable Bond Count: 16
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Topological Polar Surface Area: 0
- Heavy Atom Count: 19
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcfB4AAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAIAAAAACAOAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAIBAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
11. Question & Answer
-
1-Chlorooctadecane, also known as 1-Chlorooctadecane, is an organic compound. It has a relatively large molecular weight, reaching around 288. In industry, 1-Chlorooctadecane is commonly used in the p..
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Background and Overview[1] A colorless liquid with a relative density of 0.9041 and a boiling point of 185-190℃ (15×133.322Pa). It is used as a stationary liquid in gas chromatography to separate hal..
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