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Phenol, 3-pentadecyl-

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Name

Phenol, 3-pentadecyl-

EINECS 207-921-9
CAS No. 501-24-6 Density 0.908 g/cm3
PSA 20.23000 LogP 7.02590
Solubility N/A Melting Point 50-53 °C(lit.)
Formula C21H36O Boiling Point 402 °C at 760 mmHg
Molecular Weight 304.516 Flash Point 246.3 °C
Transport Information N/A Appearance slightly brown to pink-brown crystalline chunks
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 501-24-6 (3-N-PENTADECYLPHENOL) Hazard Symbols IrritantXi
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;

Article Data 22

Phenol, 3-pentadecyl- Synthetic route

124-40-3

dimethyl amine

cardanol

cardanol

A

501-24-6

3-n-Pentadecylphenol

B

N,N-dimethyl-3-pentadecylcyclohexan-1-amine oxide

Conditions
ConditionsYield
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%
91-22-5

quinoline

2-hydroxy-5-pentadecyl-isophthalic acid

501-24-6

3-n-Pentadecylphenol

Conditions
ConditionsYield
at 180 - 240℃;
at 180 - 240℃;
501-26-8

3-[(Z)-8-pentadecenyl]phenol

501-24-6

3-n-Pentadecylphenol

Conditions
ConditionsYield
Hydrogenation;
With platinum Hydrogenation;
15071-57-5

Methyl 3-n-pentadecylphenyl ether

501-24-6

3-n-Pentadecylphenol

Conditions
ConditionsYield
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
ConditionsYield
at 200 - 220℃;
16611-84-0

6-Pentadecylsalicylic Acid

A

501-24-6

3-n-Pentadecylphenol

B

2-hydroxy-6-pentadecyl-benzoic acid-(3-pentadecyl-phenyl ester)

Conditions
ConditionsYield
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
ConditionsYield
With hydrogen; nickel
855748-60-6

1-(3-benzyloxy-phenyl)-pentadecan-1-ol

501-24-6

3-n-Pentadecylphenol

Conditions
ConditionsYield
With sulfuric acid; hydrogen; palladium on activated charcoal In ethyl acetate Yield given;
cardanol

cardanol

501-24-6

3-n-Pentadecylphenol

Conditions
ConditionsYield
With ethanol; palladium Hydrogenation;
With ethyl acetate; platinum Hydrogenation;
With hydrogen; palladium on activated charcoal under 1838.77 Torr; for 2h;
112-71-0

1-Bromotetradecane

sodium-compound of (+-)-2-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester

sodium-compound of (+-)-2-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester

501-24-6

3-n-Pentadecylphenol

Conditions
ConditionsYield
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

Phenol, 3-pentadecyl- 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%. 
 

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

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