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88336-99-6

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Basic Information
CAS No.: 88336-99-6
Name: METHYL 15-PHENYLPENTADECANOATE
Article Data: 3
Molecular Structure:
Molecular Structure of 88336-99-6 (METHYL 15-PHENYLPENTADECANOATE)
Formula: C22H36O2
Molecular Weight: 332.527
Synonyms: METHYL 15-PHENYLPENTADECANOATE;15-PHENYL-PENTADECANECARBOXYLIC ACID METHYL ESTER;15-Phenylpentadecanoicacidmethylester;15-PhenylpentadecaneSremethylester
Density: 0.931g/cm3
Melting Point: 38-39°C
Boiling Point: 418.7 °C at 760 mmHg
Flash Point: 105.7 °C
Hazard Symbols: IrritantXi
PSA: 26.30000
LogP: 6.47340
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Specification

The Benzenepentadecanoicacid, methyl ester, with CAS registry number 88336-99-6, has the systematic name of methyl 15-phenylpentadecanoate. Besides this, it is also called 15-Phenyl-pentadecanecarboxylic acid methyl ester. And the chemical formula of this chemical is C22H36O2.

Physical properties of Benzenepentadecanoicacid, methyl ester: (1)ACD/LogP: 8.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.48; (4)ACD/LogD (pH 7.4): 8.48; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 972719.25; (8)ACD/KOC (pH 7.4): 972719.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 102.43 cm3; (15)Molar Volume: 356.8 cm3; (16)Polarizability: 40.6×10-24cm3; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 0.931 g/cm3; (19)Flash Point: 105.7 °C; (20)Enthalpy of Vaporization: 67.23 kJ/mol; (21)Boiling Point: 418.7 °C at 760 mmHg; (22)Vapour Pressure: 3.2E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by diazomethane and 15-phenyl-pentadecanoic acid. This reaction will need solvent diethyl ether. The reaction time is 12 hour(s) with reaction temperature of 0 ℃. The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCCCCCCCCCc1ccccc1
(2)InChI: InChI=1/C22H36O2/c1-24-22(23)20-16-11-9-7-5-3-2-4-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,2-11,13,16-17,20H2,1H3
(3)InChIKey: ABOXOJMJRBLUDL-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C22H36O2/c1-24-22(23)20-16-11-9-7-5-3-2-4-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,2-11,13,16-17,20H2,1H3
(5)Std. InChIKey: ABOXOJMJRBLUDL-UHFFFAOYSA-N