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Name |
Pentane |
EINECS | 203-692-4 |
CAS No. | 109-66-0 | Density | 0.626 g/cm3 |
PSA | 0.00000 | LogP | 2.19650 |
Solubility | insoluble in water | Melting Point |
-130 °C |
Formula | C5H12 | Boiling Point | 35.2 °C at 760 mmHg |
Molecular Weight | 72.1503 | Flash Point | -57 °F |
Transport Information | UN 1265 3/PG 2 | Appearance | clear colorless liquid |
Safety | 9-16-29-33-61-62 | Risk Codes | 12-51/53-65-66-67 |
Molecular Structure | Hazard Symbols | F+,Xn,F,N | |
Synonyms |
NSC 72415;Norpar 5S;Skellysolve A;n-Pentane; |
Article Data | 504 |
Conditions | Yield |
---|---|
With H3Ni4(C5H5)4; hydrogen at 40℃; under 760 Torr; other olefins; var. times; | 100% |
With hydrogen In N,N-dimethyl-formamide at 25℃; under 760.051 Torr; for 10h; | 87% |
With C14H15NZr In toluene at 25℃; Reagent/catalyst; | 11% |
Conditions | Yield |
---|---|
With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760 Torr; Kinetics; | A 99.5% B n/a |
Conditions | Yield |
---|---|
With C21H16N3P(2+) In dichloromethane at 25℃; for 1.5h; Reagent/catalyst; | A 97% B n/a |
With [(SIMes)PFMe2][B(C6F5)4]2 In dichloromethane-d2 for 1h; Catalytic behavior; Inert atmosphere; |
Conditions | Yield |
---|---|
With hydrogen; (3-ClMe2SiPr)P(Ph)CH2C4H7O2 on silicagel In propan-1-ol at 20℃; under 750.06 Torr; for 0.333333h; Product distribution; var. catalyst; | A 96% B 3% C 1% |
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.216667h; Product distribution; Ambient temperature; various time; | A 1.7% B 82.7% C 1.4% |
With hydrogen In hexane at 24.84 - 59.84℃; Kinetics; Autoclave; Inert atmosphere; |
Conditions | Yield |
---|---|
With triethylsilane; C24BF20(1-)*C30H32BF5P(1+) at 100℃; for 48h; Reagent/catalyst; | 95% |
With triethylsilane; 2C24BF20(1-)*C18H17FNP(2+) at 25℃; for 1h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Schlenk technique; Glovebox; | 92% |
With trityl tetrakis(pentafluorophenyl)borate In 1,2-dichloro-benzene at 22℃; for 24h; Product distribution; Further Variations:; Reagents; Solvents; |
Conditions | Yield |
---|---|
With hydrogen; aluminum oxide; nickel at 120℃; | A 5% B 94% |
With hydrogen In n-heptane at 199.84℃; under 22502.3 Torr; Kinetics; Autoclave; |
Conditions | Yield |
---|---|
With hydrogen; osmium(VIII) oxide at 120℃; under 37503 Torr; for 15h; or 100 to 180 deg C, different Os-catalysts and -concentrations; Further byproducts given; | 90% |
With hydrogen; osmium(VIII) oxide at 120℃; under 37503 Torr; for 15h; Product distribution; different Os-catalysts and concentration; reaction temperatures; other alkanes, cycloalkanes, benzene, toluene; | 90% |
With platinum on activated charcoal at 300℃; Hydrogenation; |
Conditions | Yield |
---|---|
With triethylsilane; tris(pentafluorophenyl)borate In dichloromethane at 20℃; for 20h; Reduction; | 88% |
With triethylsilane; tris(pentafluorophenyl)borate In dichloromethane at 20℃; for 20h; Reduction; | 97 % Spectr. |
Conditions | Yield |
---|---|
With hydrogen; silica gel; palladium at 330℃; | 85% |
Conditions | Yield |
---|---|
With hydrogen; 1-n-butyl-3-methylimidazolium hexafluoroantimonate; [Rh(I)(norbornadiene)(PPh3)2]PF6 In acetone at 30℃; under 750.06 Torr; for 2h; | A 83% B 13% |
With hydrogen; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; [Rh(I)(norbornadiene)(PPh3)2]PF6 In acetone at 30℃; under 750.06 Torr; | A 25% B 74% |
With C28H25ClNPTi In toluene at 25℃; Reagent/catalyst; | A 7% B 19% |
With (iPr4antraphos)Ir(C2H4) at 180℃; for 130h; Inert atmosphere; | A 45.5 %Chromat. B 27.9 %Chromat. |
The Pentane, with the CAS registry number 109-66-0, is also known as Acetic acid, fluoro-, methyl ester. It belongs to the product categories of Refrigerants; Organics; n-Paraffins (GC Standard); Standard Materials for GC; Analytical Chemistry; Anhydrous Grade Solvents Solvents; Anhydrous Solvents; Returnable Container Solvents; Solvent Bottles; Sure/Seal Bottles; Amber Glass Bottles; Spectrophotometric Grade Solvents; Spectrophotometric Grade Solvents; Chemical Class; Hydrocarbons; Neats Alphabetic; Analytical Reagents; Analytical/Chromatography; Trace Analysis Reagents; Purge & Trap; Chromatography/CE Reagents; Solvents - GC/SH; Analytical Reagents for General Use; O-P, Puriss p.a.; Puriss p.a.; Chromasolv for HPLC Solvents;Semi-Bulk Solvents; VerSA-Flow Products; Alpha Sort; P; PA - PEN; P-SAlphabetic; Volatiles/ Semivolatiles; Chromasolv(R) HPLC Grade Solvents; Chromasolv Solvents (HPLC, LC-MS); Solvents; GC Capillary; Pestanal/Residue Analysis; Carbon Steel Cans with NPT Threads; Reagent Grade Solvents; ReagentSemi-Bulk Solvents; Reagent Solvents. Its EINECS registry number is 203-692-4. This chemical's molecular formula is C5H12 and molecular weight is 72.15. Its IUPAC name is called pentane.
Physical properties of Pentane: (1)ACD/LogP: 3.41; (2)ACD/LogD (pH 5.5): 3.41; (3)ACD/LogD (pH 7.4): 3.41; (4)ACD/BCF (pH 5.5): 230.83; (5)ACD/BCF (pH 7.4): 230.83; (6)ACD/KOC (pH 5.5): 1711; (7)ACD/KOC (pH 7.4): 1711; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.371; (10)Molar Refractivity: 25.21 cm3; (11)Molar Volume: 111 cm3; (12)Surface Tension: 18.7 dyne/cm; (13)Density: 0.649 g/cm3; (14)Enthalpy of Vaporization: 26.86 kJ/mol; (15)Boiling Point: 35.2 °C at 760 mmHg; (16)Vapour Pressure: 527 mmHg at 25°C.
Preparation of Pentane: this chemical can be prepared by pent-1-ene. This reaction will need reagent platinum black. The reaction is a kind of Hydrogenation reaction.
Uses of Pentane: This chemical is one of the primary blowing agents used in the production of polystyrene foam. Because of its low boiling point, low cost, and relative safety, pentane is used as a working medium in geothermal power stations. It is added into some refrigerant blends as well. Pentanes are relatively inexpensive and are the most volatile alkanes that are liquid at room temperature, so they are often used in the laboratory as solvents that can be conveniently evaporated. They are also often used in liquid chromatography.
When you are using this chemical, please be cautious about it as the following:
Pentane is extremely flammable and harmful. It is toxic to aquatic organisms whic may cause long-term adverse effects in the aquatic environment. It may cause lung damage if swallowed. You should keep it away from sources of ignition - No smoking. When using it, you can take precautionary measures against static discharges. If swallowed, you should not induce vomiting: seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC
(2)InChI: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
(3)InChIKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LCLo | inhalation | 325gm/m3/2H (325000mg/m3) | BEHAVIORAL: EXCITEMENT | Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 74, 1936. |
mouse | LD50 | intravenous | 446mg/kg (446mg/kg) | Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978. | |
rat | LC50 | inhalation | 364gm/m3/4H (364000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 23, 1988. | |
rat | LD50 | oral | 400mg/kg (400mg/kg) | National Technical Information Service. Vol. OTS0556690, |