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| CAS No.: | 124-18-5 |
|---|---|
| Name: | Decane |
| Molecular Structure: | |
|
|
|
| Formula: | C10H22 |
| Molecular Weight: | 142.285 |
| Synonyms: | CactusNormal Paraffin N 10;NSC 8781;n-Decane; |
| EINECS: | 204-686-4 |
| Density: | 0.735 g/cm3 |
| Melting Point: | -30 °C |
| Boiling Point: | 174.873 °C at 760 mmHg |
| Flash Point: | 46.111 °C |
| Solubility: | insoluble in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xn,  N,  F
|
| Risk Codes: | 10-65-66-67-62-51/53-48/20-38-11 |
| Safety: | 62-23-16-61-36/37-33-29-9 |
| Transport Information: | UN 2247 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 4.14700 |
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| Conditions | Yield |
|---|---|
| With {(η6-C6H6)Ru(NCCH3)3}{BF4}2; water; hydrogen In benzene at 90℃; under 30400 Torr; for 4h; | 100% |
| With hydrogen; Rh on carbon at 75℃; under 3040.2 Torr; for 0.35h; | 100% |
| With hydrazine hydrate In ethanol for 24h; Reflux; | 100% |
- 124-18-5
decane
| Conditions | Yield |
|---|---|
| With indium(III) chloride In dichloromethane-d2 at 20℃; | 100% |
| Conditions | Yield |
|---|---|
| With di-tert-butyl peroxide; iodine | 100% |
| Conditions | Yield |
|---|---|
| With hydrogen In methanol at 20℃; for 18h; | 98% |
| With hydrogen In ethanol at 100℃; under 30003 Torr; Flow reactor; Green chemistry; chemoselective reaction; | 67% |
| With hydrogen In methanol at 20℃; under 5171.62 Torr; for 24h; | 98 %Chromat. |
| Conditions | Yield |
|---|---|
| With hydrogen In hexane at 40℃; under 760.051 Torr; for 5h; | A 3% B 97% |
| With hydrogen; Ni-Gr2 In methanol at 30℃; under 22800 Torr; for 6h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; | |
| With hydrogen; ethylenediamine In tetrahydrofuran at 25℃; under 760 Torr; | A 13 % Chromat. B 75 % Chromat. |
| Conditions | Yield |
|---|---|
| With tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide Electrochemical reaction; Inert atmosphere; | A 1% B 97% |
| With sodium polystyrylanthracene Product distribution; | A 25% B 4% |
| Conditions | Yield |
|---|---|
| With Li(1+)*C12H28AlO3(1-) In tetrahydrofuran; hexane for 0.0333333h; Ambient temperature; | 96% |
| With LiPyrrBH3 In tetrahydrofuran at 0℃; | 92% |
| With sodium tetrahydroborate In various solvent(s) at 70℃; for 3h; | 82% |
| Conditions | Yield |
|---|---|
| With Li(1+)*C12H28AlO3(1-) In tetrahydrofuran; hexane for 0.166667h; Ambient temperature; | 95% |
| With [2-(di-tert-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine]ruthenium(II) chlorocarbonyl hydride; isopropyl alcohol; sodium t-butanolate at 100℃; for 18h; Catalytic behavior; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube; Green chemistry; | 93% |
| With sodium tetrahydroborate In various solvent(s) at 70℃; for 12h; | 82% |
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol Kolbe Electrolysis; Electrochemical reaction; | 95% |
| With sodium hydroxide at 19.84℃; pH=6.1; Kolbe reaction; Electrochemical reaction; | 45 % Spectr. |
| With sodium methylate In methanol at 40 - 60℃; Electrolysis; |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; cetyltributylphosphonium bromide In water; toluene at 18℃; for 5h; Product distribution; | 94% |
| With diethyl ether; sodium | |
| With iron(III) chloride; phenylsilane; sodium methylate In tetrahydrofuran for 6h; Schlenk technique; Inert atmosphere; | 61 %Chromat. |
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- Total:31 Page 1 of 1 1
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Specification
The Decane is an organic compound with the formula C10H22. The IUPAC name of this chemical is decane. With the CAS registry number 124-18-5, it is also named as Nonane, methyl-. The product's categories are Pharmaceutical Intermediates; Analytical Chemistry; n-Paraffins (GC Standard); Standard Materials for GC; Anhydrous Grade Solvents Solvents; Solvent Bottles; Solvents; Sure/Seal? Bottles; Alpha Sort; D; DA - DH; DAlphabetic; Volatiles/ Semivolatiles; Amber Glass Bottles; ReagentPlus(R) Solvent Grade Products; ReagentPlus(R)Solvents; Alphabetic; DA - DHChemical Class; Hydrocarbons; Neats. Besides, it is colourless liquid, which should be stored in closed and cool place. It is used as a solvent and in organic synthesis.
Physical properties about Decane are: (1)ACD/LogP: 5.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.802; (4)ACD/LogD (pH 7.4): 5.802; (5)ACD/BCF (pH 5.5): 15121.537; (6)ACD/BCF (pH 7.4): 15121.537; (7)ACD/KOC (pH 5.5): 34146.199; (8)ACD/KOC (pH 7.4): 34146.199; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.414; (11)Molar Refractivity: 48.378 cm3; (12)Molar Volume: 193.603 cm3; (13)Polarizability: 19.178×10-24cm3; (14)Surface Tension: 24.335 dyne/cm; (15)Density: 0.735 g/cm3; (16)Flash Point: 46.111 °C; (17)Enthalpy of Vaporization: 38.75 kJ/mol; (18)Boiling Point: 174.873 °C at 760 mmHg; (19)Vapour Pressure: 1.583 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-chloro-pentane. This reaction will need reagent Ca slurry and solvent tetrahydrofuran. The reaction time is 120 min with reaction temperature of 50 °C. The yield is about 48.2%.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and danger of serious damage to health by prolonged exposure through inhalation. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to to skin. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment and vapours may cause drowsiness and dizziness. When you are using it, wear suitable protective clothing and gloves, do not breathe dust and avoid release to the environment. Refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCC
(2)InChI: InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
(3)InChIKey: DIOQZVSQGTUSAI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
(5)Std. InChIKey: DIOQZVSQGTUSAI-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 72300mg/m3/2H (72300mg/m3) | BEHAVIORAL: ANTIPSYCHOTIC | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(8), Pg. 53, 1982. |
| mouse | LDLo | intravenous | 912mg/kg (912mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975. |
| rat | LC50 | inhalation | > 1369ppm/8H (1369ppm) | Pharmacology and Toxicology Vol. 62, Pg. 259, 1988. |