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Cas Database |
| Name |
Octadecane |
EINECS | 209-790-3 |
| CAS No. | 593-45-3 | Density | 0.781 g/cm3 |
| PSA | 0.00000 | LogP | 7.26780 |
| Solubility | No rapid reaction with water. | Melting Point |
28-31 °C |
| Formula | C18H38 | Boiling Point | 316.3 °C at 760 mmHg |
| Molecular Weight | 254.5 | Flash Point | 165.6 °C |
| Transport Information | N/A | Appearance | clear semi-liquid |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Cactus Normal Paraffin TS 8;NSC 4201;n-Octadecane;C18-n-Alkane; |
Article Data | 144 |
Octadecane Synthetic route
| Conditions | Yield |
|---|---|
| With fac-[Mn(1,2-bis(di-isopropylphosphino)ethane)(CO)3(CH2CH2CH3)]; hydrogen In diethyl ether at 25℃; under 37503.8 Torr; for 18h; | 99% |
| With platinum(IV) oxide under 2206.5 Torr; Hydrogenation; | |
| With triethylsilane; palladium dichloride In ethanol at 20℃; for 24h; | 96 % Chromat. |
- 76695-50-6
n-octadecyl isocyanide
- 593-45-3
octadecane
| Conditions | Yield |
|---|---|
| With perhydrodibenzo-18-crown-6; potassium; toluene Ambient temperature; | 99% |
| With perhydrodibenzo-18-crown-6; potassium; toluene Product distribution; Ambient temperature; | 99% |
| With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In xylene Heating; | 81% |
| With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In xylene Product distribution; Heating; other isocyanides and isothiocyanates, various reduction reagents under different reaction conditions; | 81% |
| Conditions | Yield |
|---|---|
| With piperidine; silica gel In methanol; acetonitrile Kolbe electrolytic synthesis; Electrolysis; cooling; | 99% |
| With potassium hydroxide In methanol at 20℃; for 0.166667h; pH=6; Kolbe Electrolysis; |
| Conditions | Yield |
|---|---|
| With hydrogen In neat (no solvent) at 250℃; under 6000.6 Torr; for 24h; Catalytic behavior; Autoclave; High pressure; | 99% |
| Conditions | Yield |
|---|---|
| With hydrogen In hexane at 160℃; under 22502.3 Torr; for 18h; Molecular sieve; chemoselective reaction; | 98% |
| With hydrogen In neat (no solvent) at 250℃; under 6000.6 Torr; for 24h; Catalytic behavior; Reagent/catalyst; Autoclave; High pressure; | 96% |
| With triethylsilane; tris(pentafluorophenyl)borate In dichloromethane at 20℃; | 94% |
| Conditions | Yield |
|---|---|
| With triethylsilane; tris(pentafluorophenyl)borate In dichloromethane at 20℃; | 98% |
| Stage #1: Methyl stearate With triethylsilane; tris(pentafluorophenyl)borate In dichloromethane at 20℃; for 20h; Stage #2: In ethanol for 7h; Heating; Further stages.; | 96% |
| With tris(pentafluorophenyl)borate In cyclohexane at 20℃; for 6h; Schlenk technique; Inert atmosphere; Green chemistry; | 81% |
| With hydrogen In hexane at 260℃; under 18751.9 Torr; Autoclave; | |
| With hydrogen In cyclohexane at 179.84℃; under 15001.5 Torr; for 3h; Sealed tube; |
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); sodium cyanoborohydride In acetonitrile; tert-butyl alcohol for 3h; Heating; | 97% |
| With triethylsilane; dilauryl peroxide; 2,3,3,4,4,5-hexamethyl-2-hexanethiol In cyclohexane for 1h; Heating; | 89% |
| With sodium tetrahydroborate; 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin; tributyltin chloride In toluene at 110℃; for 36h; Product distribution; Rate constant; other alkyl and aryl halides; other catalysts; also without cocatalyst or phase-transfer catalysts; | 80% |
| With sodium tetrahydroborate; 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin; tributyltin chloride In toluene at 110℃; for 36h; | 80% |
| With sodium tetrahydroborate; 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin; tributyltin chloride In toluene at 110℃; Rate constant; |
- 28623-46-3
N-nonadecyl nitrile
- 593-45-3
octadecane
| Conditions | Yield |
|---|---|
| With potassium; toluene; perhydrodibenzo-18-crown-6 Ambient temperature; | 95.7% |
| Conditions | Yield |
|---|---|
| With hydrogen In neat (no solvent) at 250℃; under 6000.6 Torr; for 24h; Catalytic behavior; Autoclave; High pressure; | 93% |
| With tris(pentafluorophenyl)borate In cyclohexane at 20℃; for 6h; Catalytic behavior; Time; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere; Green chemistry; | 91% |
| With hydrogen In cyclohexane at 170℃; under 18751.9 Torr; for 24h; Autoclave; Sealed tube; | |
| With hydrogen In neat (no solvent) at 250℃; under 37503.8 Torr; for 48h; Catalytic behavior; Autoclave; | 89 %Chromat. |
| Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol / 1 h / Reflux 2: hydrogen / neat (no solvent) / 48 h / 230 °C / 37503.8 Torr / Autoclave View Scheme |
| Conditions | Yield |
|---|---|
| With potassium phosphate; tricyclohexylphosphine; palladium diacetate In tetrahydrofuran at 20℃; for 24h; Suzuki cross-coupling; | 92% |
| With palladium diacetate; potassium phosphate; 1,3,5,7-tetramethyl-6-(2,4-dimethoxyphenyl)-2,4,8-trioxa-6-phosphaadamantane In tetrahydrofuran at 20℃; for 24h; Suzuki coupling; | 236 mg |
Octadecane Specification
The IUPAC name of this chemical is Octadecane. With the CAS registry number 593-45-3 and EINECS registry number 209-790-3, it is also named as N-Octadecane. In addition, the molecular formula is C18H38 and the molecular weight is 254.49. It is a kind of white crystals or powder and belongs to the classes of Analytical Chemistry; N-Paraffins (GC Standard); Standard Materials for GC; Alpha Sort; Alphabetic; N-OAnalytical Standards; O; Volatiles/ Semivolatiles; Chemical Class; Hydrocarbons; NeatsAnalytical Standards; Acyclic; Alkanes; Organic Building Blocks. What's more, it should be stored in sealed container, and placed in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 10.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.32; (4)ACD/LogD (pH 7.4): 10.32; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 9793947; (8)ACD/KOC (pH 7.4): 9793947; (9)#Freely Rotating Bonds: 15; (10)Index of Refraction: 1.437; (11)Molar Refractivity: 85.44 cm3; (12)Molar Volume: 325.6 cm3; (13)Polarizability: 33.87 ×10-24cm3; (14)Surface Tension: 27.8 dyne/cm; (15)Density: 0.781 g/cm3; (16)Flash Point: 165.6 °C; (17)Enthalpy of Vaporization: 53.54 kJ/mol; (18)Boiling Point: 316.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000769 mmHg at 25°C.
Preparation and uses of Octadecane: it can be prepared by octadecanoic acid. This reaction will need reagents B(C6F5)3, HSiEt3 and 40 percent HF, and solvents CH2Cl2 and ethanol. The reaction needs two steps. The reaction time of the first step is 20 hours by heating. And The reaction time of the second step is 7 hours by heating. In addition, the yield is about 94%. This chemical can be used as standard materials for GC. And it can be used to separate and analyse lower hydrocarbon.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. During using it, you should wear suitable protective clothing. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: C(CCCCCCCCCCCCCCCC)C
(2)InChI: InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
(3)InChIKey: RZJRJXONCZWCBN-UHFFFAOYAL
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