3,3-Dimethyl-15-phenylpentadecanoic acid

Base Information

• Chemical Name: 3,3-Dimethyl-15-phenylpentadecanoic acid
• CAS No.: 104426-54-2
• Molecular Formula: C23H38O2
• Molecular Weight: 346.55
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80371861
• Wikidata: Q82159357
• Mol file: 104426-54-2.mol

Synonyms:104426-54-2;3,3-dimethyl-15-phenylpentadecanoic acid;15-Phenyl-3,3-dimethyl-pentadecanoic acid;15-Phenyl-3,3-dimethylpentadecanoic acid;SCHEMBL10627086;DTXSID80371861;MFCD00040786;AKOS015908669;FT-0755995;3,3-DIMETHYL-15-PHENYLPENTADECANOICACID;15-Phenyl-3,3-dimethyl-pentadecanecorboxylic acid;15-PHENYL-3,3-DIMETHYLPENTADECANECARBOXYLIC ACID

Chemical Property of 3,3-Dimethyl-15-phenylpentadecanoic acid

Chemical Property:

• Vapor Pressure: 1.08E-09mmHg at 25°C
• Melting Point: 39-40 °C
• Refractive Index: 1.497
• Boiling Point: 471.5 °C at 760 mmHg
• PKA: 4.82±0.10(Predicted)
• Flash Point: 368 °C
• PSA: 37.30000
• Density: 0.95 g/cm³
• LogP: 7.02110
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 346.287180451
• Heavy Atom Count: 25
• Complexity: 329

Purity/Quality:

98%min ^*data from raw suppliers

15-PHENYL-3,3-DIMETHYL-PENTADECANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCCCCCCCCCCCC1=CC=CC=C1)CC(=O)O

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