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104426-54-2

Basic Information
CAS No.: 104426-54-2
Name: 3,3-DIMETHYL-15-PHENYLPENTADECANOIC ACID
Molecular Structure:
Molecular Structure of 104426-54-2 (3,3-DIMETHYL-15-PHENYLPENTADECANOIC ACID)
Formula: C23H38O2
Molecular Weight: 346.55
Synonyms: 15-Phenyl-3,3-dimethyl-pentadecanoic acid;
Density: 0.95 g/cm3
Melting Point: 39-40 °C
Boiling Point: 471.5 °C at 760 mmHg
Flash Point: 368 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 37.30000
LogP: 7.02110
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  • Benzenepentadecanoicacid, b,b-dimethyl-

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    104426-54-2

    Benzenepentadecanoicacid, b,b-dimethyl-

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  • 15-Phenyl-3,3-dimethyl-pentadecanoic acid

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    104426-54-2

    15-Phenyl-3,3-dimethyl-pentadecanoic acid

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    Ansciep Chemical is a professional enterprise manufacturing and distributing fine chemicals and speciality chemicals. We have been dedicated to heterocycle compounds and phenyl rings for tens of years. This is our mature product for export. Our quali

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  • 15-Phenyl-3,3-diMethyl-pentadecanecorboxylic acid

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    104426-54-2

    15-Phenyl-3,3-diMethyl-pentadecanecorboxylic acid

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    The company is a high-tech enterprise providing comprehensive customer service for pharmaceutical companies at home and abroad in accordance with international standards. Our business includes research, development, process optimization and product

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  • 3,3-DIMETHYL-15-PHENYLPENTADECANOIC ACID

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    104426-54-2

    3,3-DIMETHYL-15-PHENYLPENTADECANOIC ACID

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The Benzenepentadecanoicacid, β,β-dimethyl-, with the CAS registry number 104426-54-2, is also known as 15-Phenyl-3,3-dimethyl-pentadecanoic acid. This chemical's molecular formula is C23H38O2 and molecular weight is 346.55. What's more, its systematic name is 3,3-dimethyl-15-phenylpentadecanoic acid.

Physical properties of Benzenepentadecanoicacid, β,β-dimethyl- are: (1)ACD/LogP: 8.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.94; (4)ACD/LogD (pH 7.4): 6.15; (5)ACD/BCF (pH 5.5): 421063.13; (6)ACD/BCF (pH 7.4): 6810.44; (7)ACD/KOC (pH 5.5): 223798.34; (8)ACD/KOC (pH 7.4): 3619.8; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 106.82 cm3; (15)Molar Volume: 364.5 cm3; (16)Polarizability: 42.34×10-24 cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 368 °C; (20)Enthalpy of Vaporization: 77.35 kJ/mol; (21)Boiling Point: 471.5 °C at 760 mmHg; (22)Vapour Pressure: 1.08×10-9 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(C)(C)CCCCCCCCCCCCc1ccccc1
(2)InChI: InChI=1/C23H38O2/c1-23(2,20-22(24)25)19-15-10-8-6-4-3-5-7-9-12-16-21-17-13-11-14-18-21/h11,13-14,17-18H,3-10,12,15-16,19-20H2,1-2H3,(H,24,25)
(3)InChIKey: IIXIPDOWHXYAKB-UHFFFAOYAT