| Identification | More | [Name]
1-Chlorooctadecane | [CAS]
3386-33-2 | [Synonyms]
1-CHLOROOCTADECANE
N-OCTADECYL CHLORIDE
OCTADECYL CHLORIDE
STEARYL CHLORIDE
1-Chloroctadecane
1-chloro-octadecan
Chlorooctadecane
octadecane,1-chloro-
1-CHLOROOCTADECANE, 1000MG, NEAT
Stearylchloride=Octadecylchloride
1-Chlorooctadecane,94%
1-chlorooctadecane solution
Alkyl(C10-18)-chlorid
1-CHLOROOCTADECANE 98+%
Octadecyl chloride, Stearyl chloride | [EINECS(EC#)]
222-207-7 | [Molecular Formula]
C18H37Cl | [MDL Number]
MFCD00000960 | [Molecular Weight]
288.94 | [MOL File]
3386-33-2.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to yellowish liquid after melting | [Melting point ]
20-24 °C
| [Boiling point ]
157-158 °C/1.5 mmHg (lit.) | [density ]
0.849 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.002Pa at 25℃ | [refractive index ]
n20/D 1.451(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Refrigerator | [solubility ]
Chloroform (Slightly), Dichloromethane (Slightly) | [form ]
neat | [color ]
Colorless to Almost colorless | [Water Solubility ]
0.03 g/L (20 ºC) | [Sensitive ]
Moisture Sensitive | [BRN ]
1703350 | [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 | [InChIKey]
VUQPJRPDRDVQMN-UHFFFAOYSA-N | [SMILES]
CCCCCCCCCCCCCCCCCCCl | [LogP]
9.44 | [CAS DataBase Reference]
3386-33-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Octadecane, 1-chloro-(3386-33-2) | [EPA Substance Registry System]
3386-33-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,T,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R63:Possible risk of harm to the unborn child.
R20/22:Harmful by inhalation and if swallowed .
R45:May cause cancer.
R40:Limited evidence of a carcinogenic effect. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S53:Avoid exposure-obtain special instruction before use .
S36/37:Wear suitable protective clothing and gloves .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 1593 6.1/PG 3 | [WGK Germany ]
3
| [RTECS ]
RG0187200 | [Autoignition Temperature]
320°C | [TSCA ]
Yes | [HS Code ]
29031980 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Aquatic Chronic 4
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to yellowish liquid after melting | [Uses]
1-Chlorooctadecane has been used as internal standard for the determination of endocrine disrupters in water samples by stir bar sorptive extraction method. | [General Description]
Kinetic and thermodynamic analysis of catalytic hydrodechlorination of 1-chlorooctadecane in supercritical carbon dioxide using 5% Pd supported on γ-Al2O3 has been reported. Incorporation of 1-chlorooctadecane into a host monolayer of stearic acid has been reported. | [Synthesis]
The general procedure for the synthesis of chlorinated octadecanes from octadecanol is as follows: for the preparation of n-octadecyl chloride compounds in a semicontinuous process, 220 g of Nn-octadecyl alkyl pyridinium chloride (prepared according to Example 2) is first added to a 1 liter jacketed glass reactor equipped with a glass paddle stirrer and a reactant metering immersion tube, and the temperature is adjusted to 150 °C. Subsequently, 447 g of n-octadecanol was uniformly added through the immersion tube over a period of 5 hours. Throughout the reaction, gaseous hydrogen chloride was added continuously in a slightly stoichiometric excess via the immersion tube and the resulting reaction water was removed synchronously by distillation. The reaction was carried out and the post-treatment steps of the reaction mixture were similar to Example 4a. The total duration of the reaction was 8 hours (including the reaction time after 3 hours), based on a 99.8% conversion of n-octadecanol. | [References]
[1] Patent: US2006/205987, 2006, A1. Location in patent: Page/Page column 6
[2] Synthesis, 1983, # 4, p. 306 - 308
[3] JAOCS, Journal of the American Oil Chemists' Society, 1996, vol. 73, # 7, p. 847 - 850
[4] Journal of Organic Chemistry, 1983, vol. 48, # 21, p. 3721 - 3728
[5] Journal of the Chemical Society, Chemical Communications, 1985, # 6, p. 337 - 338 |
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