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| CAS No.: | 501-24-6 |
|---|---|
| Name: | 3-N-PENTADECYLPHENOL |
| Article Data: | 22 |
| Molecular Structure: | |
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|
|
| Formula: | C21H36O |
| Molecular Weight: | 304.516 |
| Synonyms: | Phenol,m-pentadecyl- (7CI,8CI);3-Pentadecylphenol;3-n-Pentadecylphenol;CardanolC15:0;Cardolite NC 510;Cyclogallipharaol;Hydrocardanol;Hydrogenatedcardanol;Hydroginkgol;NSC 9781;Tetrahydroanacardol;m-Pentadecylphenol; |
| EINECS: | 207-921-9 |
| Density: | 0.908 g/cm3 |
| Melting Point: | 50-53 °C(lit.) |
| Boiling Point: | 402 °C at 760 mmHg |
| Flash Point: | 246.3 °C |
| Appearance: | slightly brown to pink-brown crystalline chunks |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 20.23000 |
| LogP: | 7.02590 |
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| Conditions | Yield |
|---|---|
| Stage #1: dimethyl amine; cardanol With palladium 10% on activated carbon; hydrogen In water at 100℃; under 7500.75 Torr; for 15h; Autoclave; Stage #2: With dihydrogen peroxide In water at 0 - 30℃; | A n/a B 71% |
| Conditions | Yield |
|---|---|
| at 180 - 240℃; | |
| at 180 - 240℃; |
| Conditions | Yield |
|---|---|
| Hydrogenation; | |
| With platinum Hydrogenation; |
- 15071-57-5
Methyl 3-n-pentadecylphenyl ether
- 501-24-6
3-n-Pentadecylphenol
| Conditions | Yield |
|---|---|
| With phosphorus; hydrogen iodide at 150 - 180℃; | |
| With boron tribromide In chloroform |
- 16611-84-0
6-Pentadecylsalicylic Acid
- 501-24-6
3-n-Pentadecylphenol
| Conditions | Yield |
|---|---|
| at 200 - 220℃; |
- 16611-84-0
6-Pentadecylsalicylic Acid
A
- 501-24-6
3-n-Pentadecylphenol
| Conditions | Yield |
|---|---|
| Erhitzen unter Stickstoff auf 235grad; | |
| at 235℃; unter Stickstoff; |
- 51546-63-5
3-[8(Z),11(Z)-pentadecadienyl] phenol
- 501-24-6
3-n-Pentadecylphenol
| Conditions | Yield |
|---|---|
| With hydrogen; nickel |
- 855748-60-6
1-(3-benzyloxy-phenyl)-pentadecan-1-ol
- 501-24-6
3-n-Pentadecylphenol
| Conditions | Yield |
|---|---|
| With sulfuric acid; hydrogen; palladium on activated charcoal In ethyl acetate Yield given; |
- 501-24-6
3-n-Pentadecylphenol
| Conditions | Yield |
|---|---|
| With ethanol; palladium Hydrogenation; | |
| With ethyl acetate; platinum Hydrogenation; | |
| With hydrogen; palladium on activated charcoal under 1838.77 Torr; for 2h; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Mg / tetrahydrofuran / 3 h / Ambient temperature 2: H2, cc. sulfuric acid / 5percent Pd-C / ethyl acetate View Scheme |
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Specification
The Phenol, 3-pentadecyl-, with the CAS registry number 501-24-6 and EINECS registry number 207-921-9, has the systematic name of 3-pentadecylphenol. It is a kind of slightly brown to pink-brown crystalline chunks, and belongs to the product category of Intermediates of Dyes and Pigments. And the molecular formula of the chemical is C21H36O.
The characteristics of Phenol, 3-pentadecyl- are as followings: (1)ACD/LogP: 9.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.38; (4)ACD/LogD (pH 7.4): 9.38; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3021464.25; (8)ACD/KOC (pH 7.4): 3014922.75; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 97.91 cm3; (15)Molar Volume: 335.2 cm3; (16)Polarizability: 38.81×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 0.908 g/cm3; (19)Flash Point: 246.3 °C; (20)Enthalpy of Vaporization: 67.85 kJ/mol; (21)Boiling Point: 402 °C at 760 mmHg; (22)Vapour Pressure: 4.88E-07 mmHg at 25°C.
Uses of Phenol, 3-pentadecyl-: It can react with 2-methoxy-2-methyl-propane to produce 2-tert-butyl-5-n-pentadecylphenol. This reaction will need reagent SnCl4, and the menstruum CH2Cl2. The reaction time is 16 hours with ambient temperature, and the yield is about 98%.
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You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1cc(ccc1)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
(3)InChIKey: PTFIPECGHSYQNR-UHFFFAOYAE