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CAS No.: | 629-62-9 |
---|---|
Name: | N-PENTADECANE |
Article Data: | 110 |
Molecular Structure: | |
Formula: | C15H32 |
Molecular Weight: | 212.419 |
Synonyms: | NSC 172781;n-Pentadecane; |
EINECS: | 211-098-1 |
Density: | 0.769 g/cm3 |
Melting Point: | 8-10 °C(lit.) |
Boiling Point: | 270.6 °C at 760 mmHg |
Flash Point: | 132.2 °C |
Solubility: | Immiscible with water. |
Appearance: | colourless liquid |
Hazard Symbols: | Xn |
Risk Codes: | 66-65 |
Safety: | 62 |
PSA: | 0.00000 |
LogP: | 6.09750 |
2-methylpropan-2-thiol
3-palmitoyloxy-4-phenylthiazolin-2(3H)-thione
A
pentadecane
B
2-tert-Butyldisulfanyl-4-phenyl-thiazole
Conditions | Yield |
---|---|
In benzene for 0.333333h; Ambient temperature; Irradiation; | A 97% B 98% |
Conditions | Yield |
---|---|
With hydrogen; Rh/Al2O3; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 150℃; under 76000 Torr; for 16h; | A n/a B 98% |
Conditions | Yield |
---|---|
With N,N,N,N,-tetramethylethylenediamine; cobalt(II) chloride; lithium iodide In tetrahydrofuran at 10℃; for 1h; Inert atmosphere; chemoselective reaction; | 98% |
Conditions | Yield |
---|---|
With C66H84Ni; isoprene In tetrahydrofuran at 20℃; for 3h; Reagent/catalyst; Schlenk technique; Inert atmosphere; | 97% |
1-pentadecene
pentadecane
Conditions | Yield |
---|---|
With hydrogen; Rhodium chloride tri(triphenylphosphine-meta-trisulfonate) In water for 60h; Ambient temperature; | 95% |
sodium 4-methylumbelliferonate
Heptanoic acid chloride
A
4-Methylumbelliferyl heptanoate
B
pentadecane
Conditions | Yield |
---|---|
In dichloromethane; acetone | A n/a B 95% |
N-methyl-N-palmitoyloxythiobenzamide
2-methylpropan-2-thiol
A
pentadecane
B
N-methylthiobenzamide
C
N-Methyl-thiobenzimidic acid tert-butyl ester
Conditions | Yield |
---|---|
In toluene for 1h; Heating; | A 85% B 48% C 34% |
N-methyl-N-palmitoyloxythiobenzamide
2-methylpropan-2-thiol
A
pentadecane
B
N-methylthiobenzamide
C
N-Methyl-thiobenzimidic acid tert-butyl ester
D
C12H17NS2
Conditions | Yield |
---|---|
In toluene at 110℃; for 1h; Yield given; | A 85% B 48% C n/a D n/a |
N-methyl-N-palmitoyloxythiobenzamide
A
di-tert-butyl disulfide
B
pentadecane
C
N-methylthiobenzamide
Conditions | Yield |
---|---|
With 2-methylpropan-2-thiol In benzene for 0.5h; Heating; | A 150 mg B 83% C 82% |
Conditions | Yield |
---|---|
With 2-methylpropan-2-thiol In benzene at 80℃; for 0.5h; | A 83% B 82% |
The n-Pentadecane, also known as NSC 172781, is an organic compound with the formula C15H32. It belongs to the product categories of Analytical Chemistry; n-Paraffins (GC Standard); Standard Materials for GC; Acyclic; Alkanes; Organic Building Blocks; Chemical Class; Hydrocarbons; Neats Alphabetic; P; PA - Pen; Alpha Sort; P-SAlphabetic; Volatiles/ Semivolatiles. Its EINECS registry number is 211-098-1. With the CAS registry number 629-62-9, its IUPAC name is pentadecane. The product should be sealed and stored in cool and dry place. What's more, it should be protected from oxides.
Physical properties of n-Pentadecane: (1)ACD/LogP: 8.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.73; (4)ACD/LogD (pH 7.4): 8.73; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1329826.63; (8)ACD/KOC (pH 7.4): 1329826.63; (9)#Freely Rotating Bonds: 12; (10)Index of Refraction: 1.431; (11)Molar Refractivity: 71.54 cm3; (12)Molar Volume: 276.1 cm3; (13)Surface Tension: 26.9 dyne/cm; (14)Density: 0.769 g/cm3; (15)Flash Point: 132.2 °C; (16)Enthalpy of Vaporization: 48.83 kJ/mol; (17)Boiling Point: 270.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0112 mmHg at 25°C.
Preparation of n-Pentadecane: this chemical can be prepared by pentadec-1-ene. This reaction will need reagent H2, catalyst Rhodium chloride tri(triphenylphosphine-meta-trisulfonate) and solvent H2O. The reaction time is 60 hours at ambient temperature. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause lung damage if swallowed. Repeated exposure may cause skin dryness or cracking.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
(3)InChIKey: YCOZIPAWZNQLMR-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 3494mg/kg (3494mg/kg) | Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978. |